 Entering Gaussian System, Link 0=g16
 Input=02_dimethylenespyropentane_STD_LCPBE_augccpVDZ.in
 Output=02_dimethylenespyropentane_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/02_dimethylenespyropentane_STD/Gau-5733.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/02_dimethylenespyropentane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5735.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=02_dimethylenespyropentane_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028300
 0000,3/108=0283000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=283000000,108=283000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:02 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "02_dimethylenespyropentane_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.990052000000      0.908560000000      1.004401000000
  C                                                -0.000001000000      0.353124000000      0.000001000000
  C                                                 1.353354000000     -0.135911000000      0.027075000000
  C                                                 2.271045000000     -0.944010000000     -0.460952000000
  C                                                -0.990057000000      0.908584000000     -1.004381000000
  C                                                -1.353358000000     -0.135911000000     -0.027085000000
  C                                                -2.271038000000     -0.944025000000      0.460937000000
  H                                                -1.356942000000      1.917200000000     -0.842556000000
  H                                                -0.864204000000      0.629254000000     -2.045363000000
  H                                                 1.356934000000      1.917181000000      0.842602000000
  H                                                 0.864199000000      0.629198000000      2.045374000000
  H                                                 2.047716000000     -1.619089000000     -1.278071000000
  H                                                 3.277396000000     -0.958534000000     -0.060790000000
  H                                                -3.277391000000     -0.958559000000      0.060781000000
  H                                                -2.047691000000     -1.619115000000      1.278043000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     15 NQM=       15 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15
 IAtWgt=           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515762   0.000000
     3  C    1.475830   1.439256   0.000000
     4  C    2.687046   2.655689   1.316568   0.000000
     5  C    2.820645   1.515761   2.765221   3.789750   0.000000
     6  C    2.765222   1.439258   2.707254   3.738658   1.475827
     7  C    3.789740   2.655686   3.738650   4.634695   2.687048
     8  H    3.152298   2.235514   3.509591   4.636209   1.085402
     9  H    3.580131   2.237545   3.130182   3.849065   1.085130
    10  H    1.085402   2.235514   2.209136   3.274334   3.152298
    11  H    1.085130   2.237545   2.213187   3.276564   3.580130
    12  H    3.566138   3.117088   2.094126   1.083186   3.961326
    13  H    3.138887   3.530648   2.094365   1.083090   4.752646
    14  H    4.752644   3.530650   4.703370   5.572931   3.138899
    15  H    3.961301   3.117074   3.915600   4.704397   3.566134
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.316568   0.000000
     8  H    2.209133   3.274336   0.000000
     9  H    2.213187   3.276573   1.829847   0.000000
    10  H    3.509590   4.636200   3.194508   3.864266   0.000000
    11  H    3.130182   3.849050   3.864267   4.440890   1.829849
    12  H    3.915621   4.704412   4.928155   3.758066   4.180866
    13  H    4.703374   5.572928   5.509818   4.859264   3.574077
    14  H    2.094367   1.083089   3.574092   3.574978   5.509818
    15  H    2.094123   1.083186   4.180861   4.183400   4.928130
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.183395   0.000000
    13  H    3.574960   1.852085   0.000000
    14  H    4.859254   5.530424   6.555914   0.000000
    15  H    3.758033   4.827637   5.530406   1.852086   0.000000
 Stoichiometry    C7H8
 Framework group  C1[X(C7H8)]
 Deg. of freedom    39
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.95D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.0050458           1.8781974           1.7728373
 Leave Link  202 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14     15
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 260 were deleted.
 There are   247 symmetry adapted cartesian basis functions of A   symmetry.
 There are   233 symmetry adapted basis functions of A   symmetry.
   233 basis functions,   425 primitive gaussians,   247 cartesian basis functions
    25 alpha electrons       25 beta electrons
       nuclear repulsion energy       262.3876293527 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.283000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.283000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   15 NActive=   15 NUniq=   15 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:06 2021, MaxMem=  5637144576 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   233 RedAO= T EigKep=  1.52D-05  NBF=   233
 NBsUse=   233 1.00D-06 EigRej= -1.00D+00 NBFU=   233
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   247   247   247   247   247 MxSgAt=    15 MxSgA2=    15.
 Leave Link  302 at Fri Jul 16 19:14:06 2021, MaxMem=  5637144576 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "02_dimethylenespyropentane_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:              16.5 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637018127 LenY=  5636956677
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -270.518449497527    
 DIIS: error= 3.81D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -270.518449497527     IErMin= 1 ErrMin= 3.81D-03
 ErrMax= 3.81D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.16D-03 BMatP= 6.16D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.81D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 GapD=    0.402 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.37D-02 MaxDP=4.31D-01              OVMax= 1.30D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.27D-02    CP:  1.19D+00
 E= -270.523861046482     Delta-E=       -0.005411548955 Rises=F Damp=F
 DIIS: error= 6.39D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -270.523861046482     IErMin= 2 ErrMin= 6.39D-04
 ErrMax= 6.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-04 BMatP= 6.16D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.39D-03
 Coeff-Com: -0.296D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.294D-01 0.103D+01
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=1.88D-03 MaxDP=7.81D-02 DE=-5.41D-03 OVMax= 3.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.78D-04    CP:  1.21D+00  1.13D+00
 E= -270.524023661154     Delta-E=       -0.000162614672 Rises=F Damp=F
 DIIS: error= 4.15D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -270.524023661154     IErMin= 3 ErrMin= 4.15D-04
 ErrMax= 4.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-05 BMatP= 1.21D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.15D-03
 Coeff-Com: -0.197D-01 0.318D+00 0.702D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.196D-01 0.316D+00 0.703D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.37D-04 MaxDP=7.55D-03 DE=-1.63D-04 OVMax= 2.02D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.11D-04    CP:  1.22D+00  1.14D+00  1.08D+00
 E= -270.524059503866     Delta-E=       -0.000035842711 Rises=F Damp=F
 DIIS: error= 1.53D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -270.524059503866     IErMin= 4 ErrMin= 1.53D-04
 ErrMax= 1.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.72D-06 BMatP= 3.36D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.53D-03
 Coeff-Com: -0.477D-02 0.918D-03 0.266D+00 0.738D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.476D-02 0.916D-03 0.266D+00 0.738D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=7.71D-05 MaxDP=2.85D-03 DE=-3.58D-05 OVMax= 8.58D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.14D-05    CP:  1.22D+00  1.15D+00  1.15D+00  9.37D-01
 E= -270.524065561838     Delta-E=       -0.000006057973 Rises=F Damp=F
 DIIS: error= 4.81D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -270.524065561838     IErMin= 5 ErrMin= 4.81D-05
 ErrMax= 4.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 5.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.715D-03-0.510D-01 0.335D-01 0.363D+00 0.653D+00
 Coeff:      0.715D-03-0.510D-01 0.335D-01 0.363D+00 0.653D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.16D-05 MaxDP=6.54D-04 DE=-6.06D-06 OVMax= 3.42D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.62D-05    CP:  1.22D+00  1.15D+00  1.16D+00  9.92D-01  9.62D-01
 E= -270.524066775817     Delta-E=       -0.000001213979 Rises=F Damp=F
 DIIS: error= 8.60D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -270.524066775817     IErMin= 6 ErrMin= 8.60D-06
 ErrMax= 8.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-08 BMatP= 1.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.384D-03-0.236D-02-0.130D-01-0.289D-01 0.180D-01 0.103D+01
 Coeff:      0.384D-03-0.236D-02-0.130D-01-0.289D-01 0.180D-01 0.103D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=6.08D-06 MaxDP=2.38D-04 DE=-1.21D-06 OVMax= 1.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.87D-06    CP:  1.22D+00  1.15D+00  1.16D+00  1.00D+00  1.00D+00
                    CP:  1.12D+00
 E= -270.524066810351     Delta-E=       -0.000000034534 Rises=F Damp=F
 DIIS: error= 1.91D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -270.524066810351     IErMin= 7 ErrMin= 1.91D-06
 ErrMax= 1.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-09 BMatP= 1.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.684D-04 0.209D-02-0.523D-02-0.275D-01-0.359D-01 0.292D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.684D-04 0.209D-02-0.523D-02-0.275D-01-0.359D-01 0.292D+00
 Coeff:      0.775D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=4.49D-05 DE=-3.45D-08 OVMax= 2.47D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.13D-07    CP:  1.22D+00  1.15D+00  1.16D+00  1.00D+00  1.01D+00
                    CP:  1.15D+00  1.14D+00
 E= -270.524066813669     Delta-E=       -0.000000003317 Rises=F Damp=F
 DIIS: error= 8.42D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -270.524066813669     IErMin= 8 ErrMin= 8.42D-07
 ErrMax= 8.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-10 BMatP= 2.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.446D-04 0.939D-03 0.663D-03-0.289D-02-0.155D-01-0.808D-01
 Coeff-Com:  0.246D+00 0.852D+00
 Coeff:     -0.446D-04 0.939D-03 0.663D-03-0.289D-02-0.155D-01-0.808D-01
 Coeff:      0.246D+00 0.852D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=5.41D-07 MaxDP=1.58D-05 DE=-3.32D-09 OVMax= 1.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.87D-07    CP:  1.22D+00  1.15D+00  1.16D+00  9.99D-01  1.00D+00
                    CP:  1.16D+00  1.23D+00  9.91D-01
 E= -270.524066814223     Delta-E=       -0.000000000554 Rises=F Damp=F
 DIIS: error= 1.70D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -270.524066814223     IErMin= 9 ErrMin= 1.70D-07
 ErrMax= 1.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-12 BMatP= 3.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-05-0.198D-03 0.220D-03 0.187D-02 0.316D-02-0.786D-02
 Coeff-Com: -0.572D-01-0.103D+00 0.116D+01
 Coeff:      0.135D-05-0.198D-03 0.220D-03 0.187D-02 0.316D-02-0.786D-02
 Coeff:     -0.572D-01-0.103D+00 0.116D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.66D-07 MaxDP=6.45D-06 DE=-5.54D-10 OVMax= 3.06D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.68D-08    CP:  1.22D+00  1.15D+00  1.16D+00  9.99D-01  1.00D+00
                    CP:  1.15D+00  1.24D+00  1.01D+00  1.20D+00
 E= -270.524066814242     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 2.74D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -270.524066814242     IErMin=10 ErrMin= 2.74D-08
 ErrMax= 2.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-13 BMatP= 4.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-05-0.524D-04 0.103D-04 0.256D-03 0.858D-03 0.124D-02
 Coeff-Com: -0.110D-01-0.413D-01 0.107D+00 0.944D+00
 Coeff:      0.166D-05-0.524D-04 0.103D-04 0.256D-03 0.858D-03 0.124D-02
 Coeff:     -0.110D-01-0.413D-01 0.107D+00 0.944D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.34D-08 MaxDP=6.04D-07 DE=-1.98D-11 OVMax= 4.20D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.23D-08    CP:  1.22D+00  1.15D+00  1.16D+00  9.99D-01  1.00D+00
                    CP:  1.15D+00  1.24D+00  1.00D+00  1.21D+00  1.17D+00
 E= -270.524066814241     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.07D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -270.524066814242     IErMin=11 ErrMin= 1.07D-08
 ErrMax= 1.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.83D-14 BMatP= 2.96D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.359D-06 0.408D-05-0.158D-04-0.117D-03-0.221D-04 0.119D-02
 Coeff-Com:  0.313D-02-0.393D-02-0.796D-01 0.311D+00 0.768D+00
 Coeff:      0.359D-06 0.408D-05-0.158D-04-0.117D-03-0.221D-04 0.119D-02
 Coeff:      0.313D-02-0.393D-02-0.796D-01 0.311D+00 0.768D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=8.68D-09 MaxDP=3.38D-07 DE= 1.59D-12 OVMax= 1.09D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -270.524066814     A.U. after   11 cycles
            NFock= 11  Conv=0.87D-08     -V/T= 2.0046
 KE= 2.692936492197D+02 PE=-1.152395995064D+03 EE= 3.501906496775D+02
 Leave Link  502 at Fri Jul 16 19:15:54 2021, MaxMem=  5637144576 cpu:             828.1 elap:             103.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   233
 NBasis=   233 NAE=    25 NBE=    25 NFC=     0 NFV=     0
 NROrb=    233 NOA=    25 NOB=    25 NVA=   208 NVB=   208

 **** Warning!!: The largest alpha MO coefficient is  0.83453587D+02

 Leave Link  801 at Fri Jul 16 19:15:55 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4632 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          15
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.67D-14 8.33D-09 XBig12= 1.00D+00 3.47D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.67D-14 8.33D-09 XBig12= 1.59D-01 6.41D-02.
     11 vectors produced by pass  2 Test12= 8.67D-14 8.33D-09 XBig12= 3.13D-02 4.17D-02.
     11 vectors produced by pass  3 Test12= 8.67D-14 8.33D-09 XBig12= 3.27D-03 1.15D-02.
     11 vectors produced by pass  4 Test12= 8.67D-14 8.33D-09 XBig12= 1.65D-04 2.07D-03.
     11 vectors produced by pass  5 Test12= 8.67D-14 8.33D-09 XBig12= 8.91D-06 4.99D-04.
     11 vectors produced by pass  6 Test12= 8.67D-14 8.33D-09 XBig12= 3.29D-07 8.68D-05.
     11 vectors produced by pass  7 Test12= 8.67D-14 8.33D-09 XBig12= 7.37D-09 1.42D-05.
     11 vectors produced by pass  8 Test12= 8.67D-14 8.33D-09 XBig12= 1.18D-10 1.50D-06.
      9 vectors produced by pass  9 Test12= 8.67D-14 8.33D-09 XBig12= 1.57D-12 2.35D-07.
      5 vectors produced by pass 10 Test12= 8.67D-14 8.33D-09 XBig12= 2.61D-14 2.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.117839D+03
      2 -0.162969D-05  0.826259D+02
      3 -0.467985D+01 -0.194949D-04  0.753560D+02
 Isotropic polarizability for W=    0.085645       91.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.109784D-02 -0.779769D+02 -0.903168D-03
      2  -0.155818D-02  0.277340D+02  0.229103D-03
      3   0.460332D-03  0.502429D+02  0.674065D-03
      4  -0.109990D+03 -0.145637D-02  0.605224D+02
      5  -0.948281D-03  0.613291D+02  0.120943D-02
      6   0.401879D+02 -0.114448D-03  0.419978D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.540220D+01 -0.848351D-04  0.452274D+01
      2   0.338749D-04  0.196079D+02  0.257913D-03
      3   0.340416D+02  0.423429D-03 -0.157732D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.806705D+00 -0.343550D-03  0.460431D+02
      2   0.451133D-04  0.203345D+02  0.749094D-03
      3  -0.320126D+02 -0.101801D-03 -0.211412D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.211904D+01 -0.245645D-04 -0.788727D+01
      2  -0.245645D-04 -0.550406D+01 -0.894240D-04
      3  -0.788727D+01 -0.894240D-04  0.181755D+01
 OR G Eigenvalues:    -5.9204    -5.5041     9.8570  Iso=     0.5225
 Eigenvectors:
   (1)   0.700318   0.000195   0.713831
   (2)  -0.000138   1.000000  -0.000137
   (3)   0.713831   0.000003  -0.700318
 w=    0.085645 a.u., Optical Rotation Beta=      0.5225 au.
 Molar Mass =     92.1402 grams/mole, [Alpha] ( 5320.0 A) =      268.94 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   27261 ScalPx= 4.62D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.44D-14 2.78D-09 XBig12= 1.00D+00 4.58D-01.
     30 vectors produced by pass  1 Test12= 1.44D-14 2.78D-09 XBig12= 3.30D-02 5.16D-02.
     30 vectors produced by pass  2 Test12= 1.44D-14 2.78D-09 XBig12= 1.85D-03 6.75D-03.
     30 vectors produced by pass  3 Test12= 1.44D-14 2.78D-09 XBig12= 1.88D-05 6.42D-04.
     30 vectors produced by pass  4 Test12= 1.44D-14 2.78D-09 XBig12= 2.05D-07 7.30D-05.
     30 vectors produced by pass  5 Test12= 1.44D-14 2.78D-09 XBig12= 2.38D-09 5.86D-06.
     30 vectors produced by pass  6 Test12= 1.44D-14 2.78D-09 XBig12= 2.17D-11 7.24D-07.
     30 vectors produced by pass  7 Test12= 1.44D-14 2.78D-09 XBig12= 1.61D-13 5.54D-08.
      3 vectors produced by pass  8 Test12= 1.44D-14 2.78D-09 XBig12= 1.21D-15 4.60D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 1.62D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 1.62D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.117839D+03 -0.162969D-05 -0.467985D+01
      2  -0.162969D-05  0.826259D+02 -0.194949D-04
      3  -0.467985D+01 -0.194949D-04  0.753560D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.540220D+01 -0.848351D-04  0.452274D+01
      2   0.338749D-04  0.196079D+02  0.257913D-03
      3   0.340416D+02  0.423429D-03 -0.157732D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.109784D-02 -0.779769D+02 -0.903168D-03
      2  -0.155818D-02  0.277340D+02  0.229103D-03
      3   0.460332D-03  0.502429D+02  0.674065D-03
      4  -0.109990D+03 -0.145637D-02  0.605224D+02
      5  -0.948281D-03  0.613291D+02  0.120943D-02
      6   0.401879D+02 -0.114448D-03  0.419978D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101019D+02  0.407370D+01  0.548582D+01 -0.275120D+01 -0.138454D+01
      2   0.407370D+01 -0.245735D+01  0.246397D+00 -0.138454D+01 -0.440257D+01
      3   0.548582D+01  0.246397D+00  0.181343D+01  0.386545D-01 -0.185730D+00
                 6             7             8             9            10 
      1   0.386545D-01  0.319119D+01  0.269168D+01  0.225508D+01  0.650099D-03
      2  -0.185730D+00  0.269168D+01  0.165000D+01  0.377694D+00 -0.102954D+02
      3   0.211761D+01  0.225508D+01  0.377694D+00 -0.478056D+01 -0.111821D-03
                11            12            13            14            15 
      1  -0.102954D+02 -0.111821D-03 -0.812530D+01  0.151922D-03 -0.457035D+01
      2   0.484989D-04 -0.822543D+00  0.151922D-03 -0.143003D+01  0.116343D-04
      3  -0.822543D+00  0.832853D-05 -0.457035D+01  0.116343D-04 -0.132728D+01
                16            17            18            19            20 
      1  -0.133955D-03 -0.653625D+01 -0.123634D-03 -0.121785D+02  0.760616D+01
      2  -0.653625D+01 -0.166681D-05 -0.129281D+01  0.760616D+01 -0.591841D+01
      3  -0.123634D-03 -0.129281D+01 -0.100629D-03  0.348878D+01 -0.816025D+00
                21            22            23            24            25 
      1   0.348878D+01  0.139830D+02 -0.513329D+01 -0.291044D+00  0.112707D+02
      2  -0.816025D+00 -0.513329D+01  0.691134D+01  0.988148D-01 -0.572468D+00
      3  -0.350895D+01 -0.291044D+00  0.988148D-01  0.132559D+01 -0.147087D+01
                26            27            28            29            30 
      1  -0.572468D+00 -0.147087D+01  0.579359D+01 -0.407883D+01 -0.702915D+01
      2   0.821766D+00  0.677085D+00 -0.407883D+01  0.461234D+01  0.110437D+01
      3   0.677085D+00  0.263115D+01 -0.702915D+01  0.110437D+01  0.416537D+01
                31            32            33            34            35 
      1  -0.733184D+01  0.801918D+01 -0.107588D+01 -0.117919D+02  0.479746D-01
      2   0.801918D+01 -0.879413D+01  0.222535D+01  0.479746D-01  0.276713D+01
      3  -0.107588D+01  0.222535D+01  0.141175D+01  0.555329D+01  0.756125D+00
                36            37            38            39            40 
      1   0.555329D+01 -0.101020D+02  0.407383D+01 -0.548571D+01 -0.275118D+01
      2   0.756125D+00  0.407383D+01  0.245734D+01  0.246521D+00  0.138446D+01
      3  -0.234952D+01 -0.548571D+01  0.246521D+00 -0.181345D+01  0.387547D-01
                41            42            43            44            45 
      1   0.138446D+01  0.387547D-01 -0.319114D+01  0.269182D+01 -0.225507D+01
      2  -0.440264D+01  0.185662D+00  0.269182D+01 -0.165002D+01  0.377382D+00
      3   0.185662D+00  0.211739D+01 -0.225507D+01  0.377382D+00  0.478087D+01
                46            47            48            49            50 
      1   0.121775D+02  0.760608D+01 -0.348864D+01  0.139830D+02  0.513328D+01
      2   0.760608D+01  0.591840D+01 -0.816029D+00  0.513328D+01  0.691151D+01
      3  -0.348864D+01 -0.816029D+00  0.350889D+01 -0.291065D+00 -0.988697D-01
                51            52            53            54            55 
      1  -0.291065D+00 -0.112705D+02 -0.572467D+00  0.147094D+01 -0.579305D+01
      2  -0.988697D-01 -0.572467D+00 -0.821823D+00  0.677234D+00 -0.407881D+01
      3   0.132574D+01  0.147094D+01  0.677234D+00 -0.263130D+01  0.702907D+01
                56            57            58            59            60 
      1  -0.407881D+01  0.702907D+01 -0.733174D+01 -0.801911D+01 -0.107578D+01
      2  -0.461236D+01  0.110449D+01 -0.801911D+01 -0.879408D+01 -0.222547D+01
      3   0.110449D+01 -0.416543D+01 -0.107578D+01 -0.222547D+01  0.141157D+01
                61            62            63            64            65 
      1   0.117918D+02  0.480804D-01 -0.555341D+01 -0.104419D+01  0.155720D+01
      2   0.480804D-01 -0.276722D+01  0.755922D+00  0.155720D+01 -0.310734D+01
      3  -0.555341D+01  0.755922D+00  0.234969D+01  0.564969D-01  0.806238D+00
                66            67            68            69            70 
      1   0.564969D-01  0.378308D+01 -0.308793D+01  0.813932D+00  0.157428D+01
      2   0.806238D+00 -0.308793D+01  0.106079D+02 -0.222838D+01 -0.348946D+00
      3  -0.798456D+00  0.813932D+00 -0.222838D+01  0.176727D+01 -0.405395D+00
                71            72            73            74            75 
      1  -0.348946D+00 -0.405395D+00  0.104627D+01 -0.782287D-01 -0.413818D+00
      2   0.778027D+00  0.123081D+01 -0.782287D-01 -0.405993D+00 -0.756572D-01
      3   0.123081D+01 -0.124408D+01 -0.413818D+00 -0.756572D-01  0.106381D+01
                76            77            78            79            80 
      1  -0.674087D+00 -0.517577D+00  0.221182D-01 -0.213305D+01 -0.287078D+00
      2  -0.517577D+00  0.683555D+00 -0.114573D+01 -0.287078D+00 -0.189543D+01
      3   0.221182D-01 -0.114573D+01 -0.182333D+01 -0.763530D+00  0.175216D+01
                81            82            83            84            85 
      1  -0.763530D+00  0.104417D+01  0.155717D+01 -0.564715D-01  0.378310D+01
      2   0.175216D+01  0.155717D+01  0.310727D+01  0.806284D+00  0.308789D+01
      3  -0.111825D+02 -0.564715D-01  0.806284D+00  0.798485D+00  0.813987D+00
                86            87            88            89            90 
      1   0.308789D+01  0.813987D+00 -0.157417D+01 -0.348872D+00  0.405406D+00
      2   0.106078D+02  0.222855D+01 -0.348872D+00 -0.777829D+00  0.123081D+01
      3   0.222855D+01  0.176734D+01  0.405406D+00  0.123081D+01  0.124417D+01
                91            92            93            94            95 
      1  -0.104626D+01 -0.782501D-01  0.413797D+00 -0.674124D+00  0.517584D+00
      2  -0.782501D-01  0.406008D+00 -0.756112D-01  0.517584D+00  0.683416D+00
      3   0.413797D+00 -0.756112D-01 -0.106379D+01  0.221103D-01  0.114573D+01
                96            97            98            99           100 
      1   0.221103D-01  0.213303D+01 -0.287083D+00  0.763510D+00  0.214610D+01
      2   0.114573D+01 -0.287083D+00  0.189534D+01  0.175190D+01 -0.120452D+01
      3  -0.182359D+01  0.763510D+00  0.175190D+01  0.111824D+02 -0.318998D+00
               101           102           103           104           105 
      1  -0.120452D+01 -0.318998D+00 -0.212199D+01  0.138629D+01  0.158314D+01
      2  -0.402639D+00 -0.674523D+00  0.138629D+01 -0.385075D+01 -0.323030D+01
      3  -0.674523D+00 -0.119507D+01  0.158314D+01 -0.323030D+01 -0.371923D+01
               106           107           108           109           110 
      1  -0.110807D+01  0.148954D+01  0.112200D+01  0.133421D+02 -0.272773D+01
      2   0.148954D+01 -0.438660D+01 -0.355903D+01 -0.272773D+01  0.184950D+01
      3   0.112200D+01 -0.355903D+01 -0.459891D+01  0.142171D+01 -0.179643D+00
               111           112           113           114           115 
      1   0.142171D+01 -0.824284D+00  0.126518D+01  0.119419D+01  0.480254D+01
      2  -0.179643D+00  0.126518D+01 -0.440196D+00 -0.527094D+00  0.247321D+00
      3   0.127586D+01  0.119419D+01 -0.527094D+00 -0.415830D+00  0.147789D+01
               116           117           118           119           120 
      1   0.247321D+00  0.147789D+01 -0.133422D+02 -0.272782D+01 -0.142175D+01
      2  -0.466564D+00 -0.588169D+00 -0.272782D+01 -0.184953D+01 -0.179676D+00
      3  -0.588169D+00  0.564904D+00 -0.142175D+01 -0.179676D+00 -0.127584D+01
               121           122           123           124           125 
      1  -0.824413D+00 -0.126527D+01  0.119417D+01 -0.480257D+01  0.247274D+00
      2  -0.126527D+01 -0.440279D+00  0.527112D+00  0.247274D+00  0.466575D+00
      3   0.119417D+01  0.527112D+00 -0.415838D+00 -0.147784D+01 -0.588154D+00
               126           127           128           129           130 
      1  -0.147784D+01 -0.214605D+01 -0.120451D+01  0.318970D+00 -0.212199D+01
      2  -0.588154D+00 -0.120451D+01  0.402728D+00 -0.674593D+00 -0.138631D+01
      3  -0.564925D+00  0.318970D+00 -0.674593D+00  0.119512D+01  0.158307D+01
               131           132           133           134           135 
      1  -0.138631D+01  0.158307D+01  0.110804D+01  0.148948D+01 -0.112188D+01
      2  -0.385093D+01  0.323034D+01  0.148948D+01  0.438665D+01 -0.355896D+01
      3   0.323034D+01 -0.371916D+01 -0.112188D+01 -0.355896D+01  0.459870D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.160066D+01 -0.391206D+01 -0.365214D+01 -0.469304D+00 -0.108401D+02
      2   0.845416D+00 -0.742338D-01  0.277524D+01 -0.499565D+01  0.640535D+01
      3   0.361693D+01  0.339178D+01  0.492113D+01  0.624507D+01  0.320683D+01
                 6             7             8             9            10 
      1  -0.922993D+01 -0.241914D+01  0.852477D+01  0.122085D+02 -0.179462D-03
      2   0.490899D+01 -0.264403D+01 -0.149430D+01 -0.934712D+01  0.806528D+01
      3   0.906214D+00  0.393323D+01 -0.121503D+01 -0.815272D+00  0.525926D-03
                11            12            13            14            15 
      1   0.123765D+00  0.767359D-05 -0.109599D+02  0.323464D-04 -0.306716D+01
      2  -0.100702D-04  0.106120D+02 -0.192842D-04 -0.367851D+01 -0.572225D-04
      3  -0.175067D+02 -0.136334D-04  0.195831D+02  0.651354D-04 -0.439781D+00
                16            17            18            19            20 
      1  -0.147903D-03  0.618103D+00 -0.395467D-05 -0.553313D+00  0.354091D+01
      2  -0.230497D+02 -0.145932D-03  0.148849D+01  0.925434D+00  0.246154D+01
      3  -0.169021D-04 -0.326686D+01  0.403341D-05  0.116829D+01  0.785092D+01
                21            22            23            24            25 
      1  -0.637019D+01  0.335061D+01 -0.863479D+01 -0.104445D+01 -0.101820D+02
      2  -0.567652D+01  0.466486D+00 -0.327234D+01  0.445694D+01 -0.173846D+02
      3  -0.629640D+01  0.210202D+02 -0.196301D+02  0.170291D+01  0.747403D-01
                26            27            28            29            30 
      1   0.522903D+01  0.545915D+01 -0.617957D+01 -0.343737D+01  0.581853D+01
      2   0.323815D+01  0.616536D+01 -0.161096D+02  0.535863D+01  0.109761D+02
      3   0.662925D-02  0.496222D+01  0.104383D+02 -0.140543D+02  0.778003D-01
                31            32            33            34            35 
      1  -0.267879D+01  0.328290D+01 -0.313187D+01  0.187640D+01  0.400319D+01
      2  -0.316104D+01  0.906640D+01  0.329991D+01  0.168496D+01  0.699036D+01
      3  -0.969082D+01  0.153919D+02 -0.849553D+01  0.788466D+01 -0.755436D+01
                36            37            38            39            40 
      1   0.134728D+01 -0.160069D+01 -0.391223D+01  0.365205D+01 -0.469456D+00
      2  -0.384056D+01  0.845347D+00  0.740241D-01  0.277539D+01  0.499536D+01
      3  -0.837789D+01 -0.361696D+01  0.339204D+01 -0.492097D+01  0.624526D+01
                41            42            43            44            45 
      1   0.108401D+02 -0.922932D+01  0.241904D+01  0.852544D+01 -0.122087D+02
      2   0.640541D+01 -0.490853D+01 -0.264362D+01  0.149504D+01 -0.934759D+01
      3  -0.320675D+01  0.906059D+00 -0.393306D+01 -0.121503D+01  0.814924D+00
                46            47            48            49            50 
      1   0.553626D+00  0.354072D+01  0.637024D+01  0.335050D+01  0.863482D+01
      2   0.925638D+00 -0.246126D+01 -0.567666D+01 -0.466089D+00 -0.327217D+01
      3  -0.116895D+01  0.785044D+01  0.629632D+01  0.210200D+02  0.196299D+02
                51            52            53            54            55 
      1  -0.104415D+01  0.101821D+02  0.522930D+01 -0.545911D+01  0.617948D+01
      2  -0.445729D+01 -0.173850D+02 -0.323854D+01  0.616565D+01 -0.161096D+02
      3   0.170320D+01 -0.747599D-01  0.700310D-02 -0.496206D+01 -0.104382D+02
                56            57            58            59            60 
      1  -0.343714D+01 -0.581867D+01 -0.267863D+01 -0.328296D+01 -0.313196D+01
      2  -0.535913D+01  0.109763D+02  0.316062D+01  0.906646D+01 -0.329952D+01
      3  -0.140544D+02 -0.775032D-01 -0.969061D+01 -0.153914D+02 -0.849594D+01
                61            62            63            64            65 
      1  -0.187650D+01  0.400322D+01 -0.134713D+01 -0.182103D+01  0.378834D+01
      2   0.168564D+01 -0.698989D+01 -0.384128D+01 -0.288661D+01  0.113491D+01
      3  -0.788454D+01 -0.755484D+01  0.837763D+01  0.187957D+01 -0.340890D+01
                66            67            68            69            70 
      1  -0.533271D+00  0.256206D+01 -0.116951D+02 -0.178399D+01  0.306489D-01
      2   0.134133D+01  0.219151D+01 -0.118494D+01 -0.165471D+01 -0.326512D-01
      3   0.100440D+01  0.288754D+01  0.877329D+01 -0.206584D+01  0.106701D+01
                71            72            73            74            75 
      1  -0.204688D+01  0.271203D+00  0.155492D+01 -0.465121D+00 -0.105480D+01
      2  -0.204016D+01  0.142902D+01  0.299423D+01 -0.557419D+00 -0.421389D+00
      3   0.385379D+00  0.910972D+00 -0.951201D+00 -0.161568D+01  0.118351D+00
                76            77            78            79            80 
      1   0.183730D+00 -0.149221D-01  0.345365D+01  0.544053D+00  0.248931D+01
      2  -0.951921D+00  0.941840D+00  0.298153D+01 -0.406326D+01 -0.260071D+01
      3  -0.570162D+00  0.998958D-01 -0.163307D+01 -0.312578D+01 -0.201149D+01
                81            82            83            84            85 
      1   0.121255D+02  0.182101D+01  0.378827D+01  0.533366D+00  0.256200D+01
      2   0.133052D+02 -0.288653D+01 -0.113484D+01  0.134131D+01 -0.219151D+01
      3   0.255792D+00 -0.187959D+01 -0.340887D+01 -0.100444D+01  0.288757D+01
                86            87            88            89            90 
      1   0.116952D+02 -0.178375D+01 -0.305983D-01 -0.204657D+01 -0.271290D+00
      2  -0.118479D+01  0.165470D+01 -0.326743D-01  0.204004D+01  0.142909D+01
      3  -0.877319D+01 -0.206596D+01 -0.106691D+01  0.385244D+00 -0.910957D+00
                91            92            93            94            95 
      1  -0.155493D+01 -0.465169D+00  0.105477D+01  0.183710D+00  0.147390D-01
      2   0.299416D+01  0.557507D+00 -0.421321D+00  0.952034D+00  0.941836D+00
      3   0.951280D+00 -0.161565D+01 -0.118419D+00 -0.570209D+00 -0.997442D-01
                96            97            98            99           100 
      1   0.345400D+01 -0.544012D+00  0.248966D+01 -0.121253D+02  0.124785D+01
      2  -0.298186D+01 -0.406330D+01  0.260035D+01  0.133050D+02 -0.112041D+01
      3  -0.163312D+01  0.312565D+01 -0.201141D+01 -0.255511D+00  0.195842D+01
               101           102           103           104           105 
      1   0.974209D-01 -0.233069D+01  0.379930D+01 -0.127912D+01 -0.526176D+01
      2  -0.221102D+01 -0.250919D+01  0.821484D+00 -0.762287D+01 -0.904514D+01
      3   0.164347D+01  0.240849D+01 -0.982225D+00  0.901037D+01  0.819834D+01
               106           107           108           109           110 
      1  -0.136839D+01  0.192616D+01 -0.471378D+01  0.302740D+01  0.326162D+00
      2   0.162600D+01 -0.100588D+02 -0.108442D+02  0.101490D+02 -0.297816D+01
      3  -0.167584D+01  0.113934D+02  0.963082D+01 -0.500365D+01 -0.571043D+01
               111           112           113           114           115 
      1   0.123851D+01 -0.976286D-01  0.249204D+00 -0.307730D+00  0.184237D+01
      2   0.704741D+01  0.337400D+01 -0.249432D+01 -0.119775D+01  0.287902D+01
      3  -0.736719D+00  0.758113D+00 -0.475653D+00  0.436680D+00 -0.609274D+01
               116           117           118           119           120 
      1   0.221088D+00 -0.915172D-01 -0.302740D+01  0.326140D+00 -0.123854D+01
      2  -0.759686D+00  0.355856D+01  0.101489D+02  0.297827D+01  0.704737D+01
      3   0.628835D+00  0.173378D+01  0.500365D+01 -0.571042D+01  0.736689D+00
               121           122           123           124           125 
      1  -0.975820D-01 -0.249162D+00 -0.307764D+00 -0.184232D+01  0.221046D+00
      2  -0.337386D+01 -0.249433D+01  0.119783D+01  0.287881D+01  0.759619D+00
      3   0.757941D+00  0.475436D+00  0.436754D+00  0.609263D+01  0.628925D+00
               126           127           128           129           130 
      1   0.915064D-01 -0.124783D+01  0.973690D-01  0.233082D+01  0.379920D+01
      2   0.355862D+01 -0.112046D+01  0.221119D+01 -0.250929D+01 -0.821400D+00
      3  -0.173377D+01 -0.195847D+01  0.164375D+01 -0.240870D+01 -0.982201D+00
               131           132           133           134           135 
      1   0.127924D+01 -0.526183D+01  0.136847D+01  0.192609D+01  0.471369D+01
      2  -0.762302D+01  0.904497D+01  0.162577D+01  0.100587D+02 -0.108437D+02
      3  -0.901085D+01  0.819850D+01  0.167572D+01  0.113936D+02 -0.963068D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.264938D+01  0.101436D+02  0.626560D+01  0.358186D+01  0.446110D+01
      2  -0.550426D+01 -0.150707D+02 -0.104787D+02 -0.567747D+01 -0.194557D+02
      3   0.815364D+01  0.492708D+01  0.421308D+01  0.209561D+01  0.149946D+02
      4   0.352718D+01 -0.615654D+01  0.265354D+01 -0.193479D+01 -0.220367D+02
      5   0.207615D+02  0.705307D+01  0.123736D+02 -0.211663D+00 -0.417271D+01
      6   0.134863D+02 -0.271457D+01  0.158792D+01 -0.368779D+01 -0.380711D+01
                 6             7             8             9            10 
      1  -0.454067D+01 -0.484819D+01  0.883452D-01  0.181150D+02  0.250932D+02
      2  -0.574444D+01 -0.226224D+01  0.559172D+01  0.116008D+02 -0.470544D+01
      3   0.102851D+02  0.711043D+01 -0.568006D+01 -0.297158D+02 -0.203877D+02
      4  -0.481517D+01  0.881140D+01  0.176118D+01  0.138610D+01 -0.554832D-03
      5   0.150865D+01  0.141144D+02  0.366503D+01 -0.362882D+01 -0.407027D+02
      6   0.399052D+01  0.650564D+01  0.619683D+01  0.138277D+01  0.518991D-03
                11            12            13            14            15 
      1  -0.811693D-04 -0.874636D+00 -0.141001D-03  0.211675D+01 -0.182796D-04
      2   0.118203D-03  0.545994D+01  0.205755D-03  0.407811D+01  0.132792D-03
      3  -0.370336D-04 -0.458530D+01 -0.647545D-04 -0.619486D+01 -0.114513D-03
      4   0.201148D+02  0.127462D-03 -0.491827D+01 -0.765849D-05  0.275394D+01
      5   0.187333D-03  0.381437D+01  0.257913D-03 -0.904785D+01  0.290793D-04
      6  -0.701149D+01 -0.496020D-04 -0.102591D+02  0.267567D-03 -0.328064D+01
                16            17            18            19            20 
      1   0.102235D+02  0.246970D-04 -0.581224D+01 -0.284932D+02  0.591957D+01
      2  -0.855536D+00  0.283503D-03  0.355009D+00  0.108216D+02  0.826168D+01
      3  -0.936797D+01 -0.308200D-03  0.545723D+01  0.176716D+02 -0.141812D+02
      4   0.236133D-03  0.120926D+01 -0.299191D-04  0.248288D+02 -0.287603D+02
      5  -0.227356D+02 -0.107419D-03 -0.515289D+01  0.341858D+02 -0.823031D+01
      6  -0.114187D-03 -0.683318D+01 -0.219307D-03 -0.544543D+01  0.126371D+01
                21            22            23            24            25 
      1   0.134680D+02  0.220882D+02 -0.130730D+02 -0.384270D+01  0.170107D+02
      2  -0.116760D+02 -0.875491D+01  0.176417D+01  0.832747D+01 -0.657242D+01
      3  -0.179208D+01 -0.133333D+02  0.113089D+02 -0.448477D+01 -0.104382D+02
      4  -0.453590D+01 -0.199547D+02  0.334106D+02 -0.188373D+01 -0.195321D+02
      5  -0.214514D+02 -0.177141D+02  0.448604D+01  0.133917D+02 -0.574138D+01
      6   0.512950D+01  0.549594D+01 -0.333428D+01  0.458457D+01  0.538380D+01
                26            27            28            29            30 
      1   0.455898D+00 -0.150286D+02  0.639229D+00 -0.557826D+01 -0.273714D+02
      2  -0.728287D+01  0.381260D+01 -0.251200D+01 -0.305544D+01  0.194168D+02
      3   0.682697D+01  0.112160D+02  0.187277D+01  0.863370D+01  0.795453D+01
      4   0.411053D+01  0.212366D+01 -0.106614D+02  0.250430D+02  0.969188D+01
      5   0.769943D+00  0.968354D+01 -0.452293D+02  0.785169D+01  0.253837D+02
      6   0.689937D+01 -0.574800D+01  0.930006D+01 -0.443910D+01 -0.326128D+01
                31            32            33            34            35 
      1  -0.418070D+01  0.115580D+02  0.927367D+01 -0.445075D+02  0.131326D+02
      2  -0.135357D+02  0.159207D+02 -0.452081D+01  0.314623D+02 -0.116988D+02
      3   0.177164D+02 -0.274787D+02 -0.475286D+01  0.130453D+02 -0.143379D+01
      4   0.439823D+02 -0.424486D+02  0.602261D+01  0.570807D+01  0.802333D+01
      5  -0.205909D+01  0.741809D+01  0.461006D+01  0.358071D+02 -0.145777D+00
      6  -0.996792D+00 -0.106342D+02 -0.283781D+01 -0.591628D+01 -0.189472D+01
                36            37            38            39            40 
      1   0.220402D+02 -0.264939D+01 -0.101435D+02  0.626518D+01 -0.358168D+01
      2  -0.193460D+02 -0.550367D+01  0.150711D+02 -0.104783D+02  0.567779D+01
      3  -0.269423D+01  0.815306D+01 -0.492752D+01  0.421311D+01 -0.209611D+01
      4   0.139410D+01 -0.352743D+01 -0.615657D+01 -0.265389D+01 -0.193456D+01
      5  -0.168230D+02  0.207615D+02 -0.705350D+01  0.123734D+02  0.211251D+00
      6  -0.787308D+01 -0.134866D+02 -0.271403D+01 -0.158832D+01 -0.368741D+01
                41            42            43            44            45 
      1   0.446119D+01  0.453995D+01 -0.484848D+01 -0.890911D-01  0.181158D+02
      2  -0.194560D+02  0.574354D+01 -0.226170D+01 -0.559290D+01  0.116010D+02
      3   0.149948D+02 -0.102835D+02  0.711018D+01  0.568199D+01 -0.297168D+02
      4   0.220373D+02 -0.481485D+01 -0.881198D+01  0.176165D+01 -0.138565D+01
      5  -0.417229D+01 -0.150865D+01  0.141144D+02 -0.366465D+01 -0.362946D+01
      6   0.380618D+01  0.399082D+01 -0.650584D+01  0.619644D+01 -0.138111D+01
                46            47            48            49            50 
      1  -0.284921D+02 -0.591969D+01  0.134680D+02 -0.220882D+02 -0.130733D+02
      2   0.108209D+02 -0.826150D+01 -0.116758D+02  0.875465D+01  0.176396D+01
      3   0.176712D+02  0.141812D+02 -0.179216D+01  0.133336D+02  0.113093D+02
      4  -0.248277D+02 -0.287602D+02  0.453607D+01 -0.199553D+02 -0.334110D+02
      5   0.341850D+02  0.823046D+01 -0.214510D+02  0.177141D+02  0.448620D+01
      6   0.544479D+01  0.126332D+01 -0.512963D+01  0.549583D+01  0.333369D+01
                51            52            53            54            55 
      1   0.384340D+01  0.170102D+02 -0.455458D+00 -0.150291D+02  0.638273D+00
      2  -0.832790D+01 -0.657186D+01  0.728257D+01  0.381251D+01 -0.251145D+01
      3   0.448450D+01 -0.104384D+02 -0.682711D+01  0.112165D+02  0.187317D+01
      4  -0.188351D+01  0.195322D+02  0.411037D+01 -0.212411D+01  0.106606D+02
      5  -0.133921D+02 -0.574098D+01 -0.770288D+00  0.968378D+01 -0.452287D+02
      6   0.458436D+01 -0.538368D+01  0.689973D+01  0.574809D+01 -0.930001D+01
                56            57            58            59            60 
      1   0.557796D+01 -0.273709D+02  0.418022D+01  0.115582D+02 -0.927449D+01
      2   0.305551D+01  0.194165D+02  0.135357D+02  0.159202D+02  0.452178D+01
      3  -0.863347D+01  0.795441D+01 -0.177159D+02 -0.274784D+02  0.475271D+01
      4   0.250428D+02 -0.969243D+01  0.439816D+02  0.424484D+02  0.602287D+01
      5  -0.785219D+01  0.253837D+02  0.205851D+01  0.741840D+01 -0.460919D+01
      6  -0.443922D+01  0.326173D+01 -0.996512D+00  0.106350D+02 -0.283771D+01
                61            62            63            64            65 
      1  -0.445071D+02 -0.131333D+02  0.220404D+02  0.432310D+01  0.209208D+01
      2   0.314619D+02  0.116997D+02 -0.193463D+02  0.297679D+01 -0.886823D+01
      3   0.130451D+02  0.143363D+01 -0.269407D+01 -0.729989D+01  0.677615D+01
      4  -0.570877D+01  0.802338D+01 -0.139305D+01 -0.103061D+02  0.174068D+02
      5   0.358076D+02  0.146800D+00 -0.168238D+02  0.904476D+00 -0.469907D+01
      6   0.591688D+01 -0.189447D+01  0.787253D+01 -0.159510D+01  0.543004D+01
                66            67            68            69            70 
      1  -0.205294D+01  0.829816D+00 -0.215007D+02  0.586818D+01 -0.164581D+01
      2   0.285692D+01 -0.894165D+01  0.414922D+02 -0.545824D+01 -0.502603D-02
      3  -0.803987D+00  0.811183D+01 -0.199916D+02 -0.409938D+00  0.165084D+01
      4  -0.399212D+01  0.165388D+02 -0.346200D+02  0.765000D+01  0.156164D+01
      5   0.446257D+01 -0.501267D+01  0.925507D+01 -0.532104D+01  0.776007D+00
      6  -0.269361D+01  0.711616D+01 -0.174850D+02  0.980156D+01 -0.146874D+01
                71            72            73            74            75 
      1   0.549317D+00 -0.520147D+01 -0.234225D+00  0.359909D+00  0.420677D+01
      2   0.519924D+01  0.798805D+00 -0.198431D+01 -0.628327D+00  0.113413D+01
      3  -0.574855D+01  0.440267D+01  0.221854D+01  0.268418D+00 -0.534089D+01
      4  -0.198688D+01 -0.435953D+01  0.717311D+00  0.356833D+01 -0.189988D+01
      5  -0.382923D+01  0.293707D+01 -0.346599D+00 -0.909468D+00  0.571432D+01
      6   0.533488D+01 -0.279132D+01  0.100944D+01 -0.365631D-01  0.102767D+01
                76            77            78            79            80 
      1   0.234162D+01 -0.446149D+01 -0.415012D+01  0.132878D+01  0.715253D+01
      2  -0.209865D+01  0.327181D+01 -0.640050D+01 -0.250681D+01 -0.539487D+00
      3  -0.242974D+00  0.118968D+01  0.105506D+02  0.117803D+01 -0.661305D+01
      4   0.251449D+01 -0.260097D+01  0.319271D+01 -0.880529D-01  0.457560D+01
      5   0.218922D+01  0.295547D+01  0.273953D+01  0.696028D+01 -0.369461D+01
      6   0.153984D+01 -0.117523D+01  0.559011D+01 -0.934537D+00  0.832069D+01
                81            82            83            84            85 
      1  -0.322367D+02  0.432305D+01 -0.209210D+01 -0.205301D+01 -0.829784D+00
      2  -0.220912D+02  0.297669D+01  0.886788D+01  0.285701D+01  0.894123D+01
      3   0.543279D+02 -0.729974D+01 -0.677578D+01 -0.804006D+00 -0.811145D+01
      4  -0.309469D+01  0.103059D+02  0.174064D+02  0.399235D+01  0.165386D+02
      5   0.200152D+02  0.904641D+00  0.469930D+01  0.446274D+01  0.501304D+01
      6  -0.127797D+02  0.159529D+01  0.543032D+01  0.269381D+01  0.711650D+01
                86            87            88            89            90 
      1  -0.215007D+02 -0.586858D+01 -0.164587D+01 -0.549692D+00 -0.520161D+01
      2   0.414915D+02  0.545872D+01 -0.484674D-02 -0.519848D+01  0.798726D+00
      3  -0.199908D+02  0.409869D+00  0.165072D+01  0.574817D+01  0.440288D+01
      4   0.346194D+02  0.765052D+01 -0.156129D+01 -0.198622D+01  0.435955D+01
      5   0.925559D+01  0.532133D+01  0.776073D+00  0.382931D+01  0.293732D+01
      6   0.174862D+02  0.980205D+01  0.146886D+01  0.533498D+01  0.279159D+01
                91            92            93            94            95 
      1  -0.234190D+00 -0.360105D+00  0.420663D+01 -0.234166D+01 -0.446136D+01
      2  -0.198424D+01  0.628307D+00  0.113419D+01  0.209863D+01  0.327155D+01
      3   0.221843D+01 -0.268203D+00 -0.534082D+01  0.243030D+00  0.118981D+01
      4  -0.717343D+00  0.356824D+01  0.189979D+01  0.251450D+01  0.260061D+01
      5  -0.346626D+00  0.909379D+00  0.571432D+01 -0.218940D+01  0.295547D+01
      6  -0.100960D+01 -0.364819D-01 -0.102748D+01  0.153989D+01  0.117482D+01
                96            97            98            99           100 
      1   0.415096D+01  0.132874D+01 -0.715168D+01 -0.322364D+02  0.916705D+01
      2   0.640087D+01 -0.250675D+01  0.539819D+00 -0.220914D+02 -0.254235D+01
      3  -0.105518D+02  0.117801D+01  0.661186D+01  0.543279D+02 -0.662470D+01
      4   0.319271D+01  0.878988D-01  0.457545D+01  0.309426D+01 -0.688926D+01
      5  -0.273994D+01  0.696015D+01  0.369417D+01  0.200149D+02 -0.115704D+01
      6   0.559014D+01  0.934469D+00  0.832016D+01  0.127779D+02  0.156757D+01
               101           102           103           104           105 
      1  -0.829285D+01 -0.572072D+01 -0.418859D+01 -0.110018D+02 -0.937407D+01
      2   0.402223D+01  0.128969D+01  0.333348D+01  0.109864D+02  0.470814D+01
      3   0.427062D+01  0.443103D+01  0.855111D+00  0.153467D-01  0.466592D+01
      4   0.367659D+01  0.806341D+00  0.104361D+02 -0.149956D+02 -0.122159D+02
      5   0.170905D+00 -0.886519D+00  0.877241D+01 -0.129815D+02 -0.161317D+02
      6   0.281662D+01  0.316677D+01 -0.531431D+01  0.160835D+02  0.157936D+02
               106           107           108           109           110 
      1   0.942744D+00 -0.128935D+02 -0.149569D+02  0.832602D+02 -0.123070D+02
      2  -0.269392D+01  0.115518D+02  0.402615D+01 -0.381827D+02  0.324233D+01
      3   0.175118D+01  0.134171D+01  0.109307D+02 -0.450775D+02  0.906463D+01
      4   0.756635D+01 -0.163702D+02 -0.129119D+02 -0.301801D+02  0.164779D+02
      5   0.728812D+01 -0.135790D+02 -0.175739D+02  0.889238D+01 -0.163101D+01
      6  -0.586818D+01  0.171541D+02  0.182929D+02 -0.670364D+01  0.118519D+01
               111           112           113           114           115 
      1   0.852217D+01 -0.444780D+01  0.541773D+01  0.291160D+01  0.281678D+02
      2  -0.371314D+01  0.649500D+00 -0.934367D+00 -0.107349D+01 -0.154345D+02
      3  -0.480904D+01  0.379830D+01 -0.448337D+01 -0.183811D+01 -0.127333D+02
      4  -0.259078D+01  0.979672D+01 -0.320282D+01 -0.166802D+01 -0.255088D+01
      5   0.101745D+02  0.723986D+01 -0.243715D+01 -0.254079D+01  0.110828D+02
      6  -0.359914D+01 -0.136393D+01  0.201902D+01  0.239537D+01 -0.442258D+01
               116           117           118           119           120 
      1  -0.240518D+01  0.505562D+01  0.832601D+02  0.123073D+02  0.852221D+01
      2   0.113698D+01 -0.409738D+01 -0.381826D+02 -0.324242D+01 -0.371320D+01
      3   0.126819D+01 -0.958244D+00 -0.450775D+02 -0.906490D+01 -0.480902D+01
      4  -0.718712D+00 -0.467749D+01  0.301811D+02  0.164783D+02  0.259097D+01
      5  -0.302529D+01  0.562641D+01  0.889261D+01  0.163118D+01  0.101745D+02
      6   0.271852D+01 -0.540394D+00  0.670377D+01  0.118529D+01  0.359917D+01
               121           122           123           124           125 
      1   0.444836D+01  0.541791D+01 -0.291147D+01  0.281677D+02  0.240544D+01
      2  -0.649607D+00 -0.934286D+00  0.107342D+01 -0.154345D+02 -0.113714D+01
      3  -0.379875D+01 -0.448363D+01  0.183805D+01 -0.127332D+02 -0.126830D+01
      4   0.979737D+01  0.320338D+01 -0.166808D+01  0.255129D+01 -0.718702D+00
      5  -0.723975D+01 -0.243723D+01  0.254085D+01  0.110825D+02  0.302520D+01
      6  -0.136390D+01 -0.201905D+01  0.239537D+01  0.442252D+01  0.271853D+01
               126           127           128           129           130 
      1   0.505543D+01  0.916681D+01  0.829316D+01 -0.572082D+01  0.418855D+01
      2  -0.409724D+01 -0.254219D+01 -0.402253D+01  0.128980D+01 -0.333319D+01
      3  -0.958194D+00 -0.662462D+01 -0.427063D+01  0.443101D+01 -0.855362D+00
      4   0.467745D+01  0.688909D+01  0.367641D+01 -0.806099D+00  0.104362D+02
      5   0.562653D+01 -0.115680D+01 -0.170639D+00 -0.886806D+00 -0.877198D+01
      6   0.540428D+00 -0.156745D+01  0.281695D+01 -0.316707D+01 -0.531427D+01
               131           132           133           134           135 
      1  -0.110024D+02  0.937439D+01  0.942673D+00  0.128938D+02 -0.149568D+02
      2   0.109874D+02 -0.470872D+01 -0.269410D+01 -0.115524D+02  0.402671D+01
      3   0.149879D-01 -0.466566D+01  0.175143D+01 -0.134138D+01  0.109301D+02
      4   0.149960D+02 -0.122159D+02 -0.756601D+01 -0.163700D+02  0.129113D+02
      5  -0.129815D+02  0.161312D+02  0.728747D+01  0.135785D+02 -0.175727D+02
      6  -0.160838D+02  0.157936D+02  0.586778D+01  0.171539D+02 -0.182924D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 19:36:06 2021, MaxMem=  5637144576 cpu:            9653.6 elap:            1211.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.06493 -10.06003 -10.06001 -10.04912 -10.04912
 Alpha  occ. eigenvalues --  -10.03223 -10.03223  -0.99544  -0.91956  -0.81653
 Alpha  occ. eigenvalues --   -0.80832  -0.68479  -0.65979  -0.58924  -0.57009
 Alpha  occ. eigenvalues --   -0.55362  -0.55156  -0.53373  -0.52634  -0.44914
 Alpha  occ. eigenvalues --   -0.40901  -0.40649  -0.36955  -0.35066  -0.34406
 Alpha virt. eigenvalues --    0.03191   0.03904   0.04079   0.04410   0.05234
 Alpha virt. eigenvalues --    0.05481   0.05770   0.06770   0.06965   0.07683
 Alpha virt. eigenvalues --    0.10231   0.10446   0.10998   0.12016   0.12787
 Alpha virt. eigenvalues --    0.13445   0.13610   0.14315   0.14550   0.15231
 Alpha virt. eigenvalues --    0.16196   0.16695   0.16946   0.17678   0.17878
 Alpha virt. eigenvalues --    0.18122   0.18713   0.19558   0.20172   0.20256
 Alpha virt. eigenvalues --    0.20569   0.21587   0.22921   0.24387   0.24463
 Alpha virt. eigenvalues --    0.26017   0.26488   0.26898   0.27752   0.28629
 Alpha virt. eigenvalues --    0.29543   0.30357   0.31201   0.32458   0.34176
 Alpha virt. eigenvalues --    0.34360   0.34379   0.35602   0.37197   0.37549
 Alpha virt. eigenvalues --    0.38571   0.39438   0.40165   0.40986   0.41644
 Alpha virt. eigenvalues --    0.42069   0.42563   0.42861   0.43978   0.45092
 Alpha virt. eigenvalues --    0.45529   0.47796   0.48387   0.48894   0.49182
 Alpha virt. eigenvalues --    0.50636   0.51553   0.51830   0.52748   0.54196
 Alpha virt. eigenvalues --    0.54791   0.54967   0.55837   0.58357   0.58704
 Alpha virt. eigenvalues --    0.58907   0.59286   0.59453   0.60450   0.61818
 Alpha virt. eigenvalues --    0.62090   0.62226   0.63905   0.64671   0.64922
 Alpha virt. eigenvalues --    0.66147   0.66679   0.66773   0.67801   0.68760
 Alpha virt. eigenvalues --    0.69534   0.70003   0.70279   0.70947   0.71309
 Alpha virt. eigenvalues --    0.72122   0.73708   0.75032   0.75960   0.76848
 Alpha virt. eigenvalues --    0.76987   0.78688   0.81569   0.82536   0.83152
 Alpha virt. eigenvalues --    0.83867   0.84737   0.92655   0.94413   0.94709
 Alpha virt. eigenvalues --    0.97823   0.98843   0.99055   1.00181   1.03148
 Alpha virt. eigenvalues --    1.03878   1.05994   1.06908   1.08550   1.08921
 Alpha virt. eigenvalues --    1.11139   1.11320   1.13107   1.13281   1.18506
 Alpha virt. eigenvalues --    1.20244   1.21712   1.25303   1.28281   1.28960
 Alpha virt. eigenvalues --    1.29006   1.33351   1.36443   1.40784   1.41279
 Alpha virt. eigenvalues --    1.41959   1.42006   1.46464   1.48516   1.50210
 Alpha virt. eigenvalues --    1.52687   1.54299   1.55237   1.56392   1.58390
 Alpha virt. eigenvalues --    1.62802   1.63587   1.65015   1.65598   1.68346
 Alpha virt. eigenvalues --    1.70656   1.73601   1.75668   1.78112   1.80834
 Alpha virt. eigenvalues --    1.83646   1.83842   1.84273   1.85078   1.87318
 Alpha virt. eigenvalues --    1.87407   1.87762   1.89755   1.93602   1.95309
 Alpha virt. eigenvalues --    1.96797   1.98063   1.98207   2.00442   2.01441
 Alpha virt. eigenvalues --    2.04648   2.06432   2.06547   2.07975   2.10743
 Alpha virt. eigenvalues --    2.15923   2.17168   2.18009   2.22955   2.24765
 Alpha virt. eigenvalues --    2.26067   2.27566   2.34650   2.36284   2.38720
 Alpha virt. eigenvalues --    2.42608   2.43361   2.44018   2.47022   2.49914
 Alpha virt. eigenvalues --    2.51087   2.57229   2.58449   2.59332   2.61415
 Alpha virt. eigenvalues --    2.68088   2.79586   2.83991   2.84876   2.90354
 Alpha virt. eigenvalues --    2.92642   3.05379   3.09102   3.10504   3.18329
 Alpha virt. eigenvalues --    3.46705   3.47647   3.87614
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.156912  -0.507160   1.102737  -0.718582  -0.766146  -0.750885
     2  C   -0.507160   8.372990  -0.874435  -0.083968  -0.507181  -0.874416
     3  C    1.102737  -0.874435   7.649706  -0.693682  -0.750901  -0.613580
     4  C   -0.718582  -0.083968  -0.693682   6.921677  -0.090866  -0.030356
     5  C   -0.766146  -0.507181  -0.750901  -0.090866   7.156979   1.102740
     6  C   -0.750885  -0.874416  -0.613580  -0.030356   1.102740   7.649690
     7  C   -0.090867  -0.083940  -0.030349   0.055376  -0.718607  -0.693691
     8  H   -0.076432  -0.092132   0.133277   0.003972  -0.042745   0.001883
     9  H    0.091072  -0.102197  -0.011221   0.008612  -0.108986   0.036509
    10  H   -0.042742  -0.092141   0.001882   0.057940  -0.076432   0.133278
    11  H   -0.108972  -0.102195   0.036504   0.012706   0.091070  -0.011226
    12  H    0.244623  -0.301803   0.206953  -0.168247  -0.001724   0.032566
    13  H   -0.265783   0.275270   0.014825  -0.091209   0.024728   0.009337
    14  H    0.024728   0.275268   0.009338   0.005508  -0.265780   0.014828
    15  H   -0.001725  -0.301810   0.032564   0.004170   0.244630   0.206956
               7          8          9         10         11         12
     1  C   -0.090867  -0.076432   0.091072  -0.042742  -0.108972   0.244623
     2  C   -0.083940  -0.092132  -0.102197  -0.092141  -0.102195  -0.301803
     3  C   -0.030349   0.133277  -0.011221   0.001882   0.036504   0.206953
     4  C    0.055376   0.003972   0.008612   0.057940   0.012706  -0.168247
     5  C   -0.718607  -0.042745  -0.108986  -0.076432   0.091070  -0.001724
     6  C   -0.693691   0.001883   0.036509   0.133278  -0.011226   0.032566
     7  C    6.921668   0.057937   0.012709   0.003971   0.008617   0.004169
     8  H    0.057937   1.724671  -0.355588  -0.009766   0.012161   0.000840
     9  H    0.012709  -0.355588   1.812517   0.012161   0.005339   0.001109
    10  H    0.003971  -0.009766   0.012161   1.724681  -0.355590   0.003241
    11  H    0.008617   0.012161   0.005339  -0.355590   1.812515   0.002868
    12  H    0.004169   0.000840   0.001109   0.003241   0.002868   1.947713
    13  H    0.005508   0.002142   0.004286   0.010716   0.012587  -0.463850
    14  H   -0.091212   0.010716   0.012587   0.002142   0.004287   0.001830
    15  H   -0.168256   0.003241   0.002868   0.000841   0.001108  -0.004104
              13         14         15
     1  C   -0.265783   0.024728  -0.001725
     2  C    0.275270   0.275268  -0.301810
     3  C    0.014825   0.009338   0.032564
     4  C   -0.091209   0.005508   0.004170
     5  C    0.024728  -0.265780   0.244630
     6  C    0.009337   0.014828   0.206956
     7  C    0.005508  -0.091212  -0.168256
     8  H    0.002142   0.010716   0.003241
     9  H    0.004286   0.012587   0.002868
    10  H    0.010716   0.002142   0.000841
    11  H    0.012587   0.004287   0.001108
    12  H   -0.463850   0.001830  -0.004104
    13  H    1.960290  -0.000340   0.001830
    14  H   -0.000340   1.960287  -0.463849
    15  H    0.001830  -0.463849   1.947721
 Mulliken charges:
               1
     1  C    0.709220
     2  C    0.999850
     3  C   -0.213617
     4  C    0.806950
     5  C    0.709221
     6  C   -0.213632
     7  C    0.806967
     8  H   -0.374178
     9  H   -0.421778
    10  H   -0.374183
    11  H   -0.421778
    12  H   -0.506183
    13  H   -0.500337
    14  H   -0.500338
    15  H   -0.506184
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.086741
     2  C    0.999850
     3  C   -0.213617
     4  C   -0.199570
     5  C   -0.086735
     6  C   -0.213632
     7  C   -0.199555
 Electronic spatial extent (au):  <R**2>=            789.7691
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.4911    Z=             -0.0000  Tot=              0.4911
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.8132   YY=            -41.5940   ZZ=            -41.2891
   XY=             -0.0000   XZ=              1.0079   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2477   YY=             -0.0286   ZZ=              0.2763
   XY=             -0.0000   XZ=              1.0079   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              6.3784  ZZZ=             -0.0001  XYY=             -0.0002
  XXY=             -4.5713  XXZ=             -0.0001  XZZ=              0.0001  YZZ=             -1.3896
  YYZ=              0.0001  XYZ=              5.2409
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -674.7983 YYYY=           -225.5631 ZZZZ=           -170.8519 XXXY=              0.0001
 XXXZ=              9.4041 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              5.5512
 ZZZY=             -0.0002 XXYY=           -151.7122 XXZZ=           -157.8627 YYZZ=            -66.6943
 XXYZ=              0.0002 YYXZ=             -4.1621 ZZXY=             -0.0002
 N-N= 2.623876293527D+02 E-N=-1.152395994053D+03  KE= 2.692936492197D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 19:36:08 2021, MaxMem=  5637144576 cpu:               7.5 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.62471630D-06 1.91961644D-01-8.48895690D-07
 Polarizability= 1.09552914D+02-6.86951035D-06 7.64921559D+01
                -3.63271180D+00-1.75299518D-05 6.98519726D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.3398    2.3399       -0.0000   -0.0000
 2     -2.3398   -2.3399        0.0000    0.0000      -17.6057  -17.6065
 3      0.0000    0.0000       21.2406   21.2415       -0.0000   -0.0000
 4     -0.0000   -0.0000        0.0000    0.0000        0.0000    0.0000
 5     -3.6349   -3.6349       -0.0000   -0.0000        2.3406    2.3399
 6      0.0000    0.0000       -2.3406   -2.3399       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.0198   -7.0198       -0.0000   -0.0000
 2     -0.0000   -0.0000       -0.0000    0.0000       -0.0000   -0.0000
 3     -0.0000   -0.0000       -7.0198   -7.0198       -0.0000    0.0000
 4     -7.0198   -7.0198        0.0000    0.0000      -52.8195  -52.8195
 5      0.0000    0.0000       63.7244   63.7244       -0.0000   -0.0000
 6    -10.9048  -10.9048       -0.0000   -0.0000        7.0198    7.0198
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -9.3691   -9.3597       -0.0000    0.0000
 2      9.3729    9.3597       -0.0000   -0.0000       70.4136   70.4260
 3     -0.0000   -0.0000      -84.9647  -84.9658        0.0000    0.0000
 4      0.0000    0.0000       -0.0172    0.0000       -0.0000   -0.0000
 5     14.5528   14.5398        0.0000    0.0000       -9.3267   -9.3597
 6     -0.0000   -0.0000        9.3534    9.3597       -0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       38.5710   38.5643        0.0001    0.0001
 2    -38.5563  -38.5643        0.0007    0.0007      -49.9947  -50.0202
 3     -0.0000   -0.0001      -20.7391  -20.7419       -0.0007   -0.0007
 4     -0.0007   -0.0007        0.0252    0.0000       -0.0001   -0.0001
 5     70.7495   70.7621        0.0001    0.0001       38.5560   38.5643
 6      0.0007    0.0007      -38.6035  -38.5643        0.0000    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0020   -0.0020      114.1927  114.1893       -0.0008   -0.0008
 2     -0.0027   -0.0027      128.2577  128.2198       -0.0008   -0.0008
 3     -0.0027   -0.0027      114.2132  114.1893       -0.0011   -0.0011
 4    -13.9948  -14.0305        0.0007    0.0006      -39.0140  -39.0555
 5     -0.0003   -0.0003      -43.9033  -43.8958       -0.0007   -0.0006
 6     82.9242   82.9513        0.0003    0.0003       14.0231   14.0305
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2578   -2.8865   -1.2882   -0.0007   -0.0003    0.0003
 Low frequencies ---  103.5098  177.3399  191.7342
 Diagonal vibrational polarizability:
        3.3186450       2.9187434       2.9466550
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    103.5098               177.3398               191.7342
 Red. masses --      3.2676                 2.6780                 2.5912
 Frc consts  --      0.0206                 0.0496                 0.0561
 IR Inten    --      0.1129                 0.3538                 0.0313
 RamAct Fr= 1--     12.5347                 4.4202                 7.5373
  Dep-P Fr= 1--      0.7359                 0.7500                 0.6485
  Dep-U Fr= 1--      0.8479                 0.8571                 0.7868
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0138
 Beta2  Fr= 1--      1.7713                 0.6315                 0.9883
 AlphaG Fr= 1--     -0.0064                -0.0000                 0.0082
 Gamma2 Fr= 1--      2.8038                -2.5367                 0.1101
 Delta2 Fr= 1--     -1.2124                 1.1430                 0.3338
 Raman1 Fr= 1--      50.139                 17.681                 30.149
 ROA1   Fr= 1--     230.370               -206.953                 21.254
 CID1   Fr= 1--       4.595                -11.705                  0.705
 Raman2 Fr= 1--      21.255                  7.578                 11.860
 ROA2   Fr= 1--      76.991                -70.026                 -0.028
 CID2   Fr= 1--       3.622                 -9.241                 -0.002
 Raman3 Fr= 1--      42.510                 15.155                 23.720
 ROA3   Fr= 1--     230.370               -206.953                 21.254
 CID3   Fr= 1--       5.419                -13.656                  0.896
 RC180  Fr= 1--       0.696                  0.714                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.11   0.06     0.11   0.12   0.01     0.05   0.05  -0.15
     2   6     0.00  -0.12  -0.00    -0.01  -0.00   0.18     0.00  -0.12  -0.00
     3   6     0.03  -0.04   0.02    -0.00   0.03   0.07     0.06  -0.01  -0.07
     4   6     0.17   0.19  -0.10    -0.10   0.03  -0.12     0.15  -0.01   0.09
     5   6     0.06  -0.11  -0.06     0.11  -0.12   0.01    -0.05   0.05   0.15
     6   6    -0.03  -0.04  -0.02    -0.00  -0.03   0.07    -0.06  -0.01   0.07
     7   6    -0.17   0.19   0.10    -0.10  -0.03  -0.12    -0.15  -0.01  -0.09
     8   1     0.10  -0.09  -0.15     0.06  -0.12  -0.15     0.10   0.09   0.31
     9   1     0.11  -0.19  -0.03     0.27  -0.22   0.05    -0.23   0.15   0.10
    10   1    -0.10  -0.09   0.15     0.06   0.12  -0.15    -0.10   0.09  -0.31
    11   1    -0.11  -0.19   0.03     0.27   0.22   0.05     0.23   0.15  -0.10
    12   1     0.27   0.24  -0.18    -0.32  -0.02  -0.03     0.25  -0.20   0.23
    13   1     0.17   0.32  -0.12     0.00   0.06  -0.39     0.14   0.21   0.11
    14   1    -0.17   0.32   0.12     0.00  -0.06  -0.39    -0.14   0.21  -0.11
    15   1    -0.27   0.24   0.18    -0.32   0.02  -0.03    -0.25  -0.20  -0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    320.2068               381.5308               410.9306
 Red. masses --      3.0696                 2.3660                 2.2277
 Frc consts  --      0.1854                 0.2029                 0.2216
 IR Inten    --      3.9930                 0.3955                 1.1010
 RamAct Fr= 1--      1.1921                 4.2834                 1.1230
  Dep-P Fr= 1--      0.7500                 0.6653                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7990                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0065                 0.0000
 Beta2  Fr= 1--      0.1703                 0.5704                 0.1604
 AlphaG Fr= 1--      0.0000                 0.0590                 0.0000
 Gamma2 Fr= 1--     -1.3968                 2.2817                 0.8185
 Delta2 Fr= 1--     -0.6177                -0.0648                 1.3778
 Raman1 Fr= 1--       4.768                 17.134                  4.492
 ROA1   Fr= 1--    -153.861                216.972                122.663
 CID1   Fr= 1--     -32.266                 12.664                 27.308
 Raman2 Fr= 1--       2.044                  6.845                  1.925
 ROA2   Fr= 1--     -28.582                 55.279                  8.622
 CID2   Fr= 1--     -13.986                  8.076                  4.479
 Raman3 Fr= 1--       4.087                 13.691                  3.850
 ROA3   Fr= 1--    -153.861                216.972                122.663
 CID3   Fr= 1--     -37.644                 15.848                 31.859
 RC180  Fr= 1--       0.714                  0.598                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.05     0.16  -0.08   0.04     0.09  -0.05  -0.02
     2   6     0.03  -0.00  -0.00     0.00   0.18  -0.00    -0.10   0.00   0.14
     3   6     0.11   0.22  -0.12    -0.04  -0.00  -0.08    -0.10   0.01  -0.13
     4   6    -0.07  -0.08   0.03     0.05   0.01   0.05     0.01   0.02   0.05
     5   6    -0.02  -0.02   0.05    -0.16  -0.08  -0.04     0.09   0.05  -0.02
     6   6     0.11  -0.22  -0.12     0.04  -0.00   0.08    -0.10  -0.01  -0.13
     7   6    -0.07   0.08   0.03    -0.05   0.01  -0.05     0.01  -0.02   0.05
     8   1    -0.30  -0.14   0.20    -0.38  -0.14  -0.18    -0.02   0.01  -0.03
     9   1     0.16   0.21   0.02    -0.10  -0.20   0.00     0.40   0.15  -0.01
    10   1    -0.30   0.14   0.20     0.38  -0.14   0.18    -0.02  -0.01  -0.03
    11   1     0.16  -0.21   0.02     0.10  -0.20  -0.00     0.40  -0.15  -0.01
    12   1    -0.26  -0.13   0.13     0.29   0.05  -0.04     0.21  -0.22   0.20
    13   1    -0.07  -0.28   0.02    -0.06   0.03   0.32    -0.01   0.33   0.13
    14   1    -0.07   0.28   0.02     0.06   0.03  -0.32    -0.01  -0.33   0.13
    15   1    -0.26   0.13   0.13    -0.29   0.05   0.04     0.21   0.22   0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    477.2842               624.2865               663.4059
 Red. masses --      1.9879                 3.2353                 1.2181
 Frc consts  --      0.2668                 0.7429                 0.3159
 IR Inten    --      5.3481                 0.1609                 0.0141
 RamAct Fr= 1--      2.6341                23.0769                 2.6862
  Dep-P Fr= 1--      0.7251                 0.1834                 0.7500
  Dep-U Fr= 1--      0.8406                 0.3100                 0.8571
 Alpha2 Fr= 1--      0.0011                 0.3273                 0.0000
 Beta2  Fr= 1--      0.3691                 1.1924                 0.3837
 AlphaG Fr= 1--      0.0363                -0.3894                -0.0000
 Gamma2 Fr= 1--      0.6993                 0.0650                -3.2877
 Delta2 Fr= 1--     -0.8101                -0.2138                -0.1242
 Raman1 Fr= 1--      10.536                 92.308                 10.745
 ROA1   Fr= 1--      41.213                 -0.601               -319.596
 CID1   Fr= 1--       3.911                 -0.007                -29.745
 Raman2 Fr= 1--       4.429                 14.309                  4.605
 ROA2   Fr= 1--      23.265                  3.271                -77.912
 CID2   Fr= 1--       5.253                  0.229                -16.919
 Raman3 Fr= 1--       8.857                 28.617                  9.210
 ROA3   Fr= 1--      41.213                 -0.601               -319.596
 CID3   Fr= 1--       4.653                 -0.021                -34.702
 RC180  Fr= 1--       0.681                 -0.380                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.03     0.19   0.00   0.09     0.06  -0.00   0.01
     2   6     0.00  -0.04  -0.00    -0.00  -0.07  -0.00    -0.00   0.00  -0.02
     3   6     0.06   0.14  -0.12     0.16   0.05   0.15    -0.03   0.04  -0.02
     4   6    -0.01  -0.03   0.02     0.05  -0.01   0.01    -0.04   0.03   0.02
     5   6     0.04  -0.04  -0.03    -0.19   0.00  -0.09     0.06   0.00   0.01
     6   6    -0.06   0.14   0.12    -0.16   0.05  -0.15    -0.03  -0.04  -0.02
     7   6     0.01  -0.03  -0.02    -0.05  -0.01  -0.01    -0.04  -0.03   0.02
     8   1     0.25   0.08  -0.35    -0.16   0.02  -0.10     0.12   0.05  -0.17
     9   1    -0.03  -0.40   0.05    -0.29  -0.00  -0.10     0.11  -0.16   0.06
    10   1    -0.25   0.08   0.35     0.16   0.02   0.10     0.12  -0.05  -0.17
    11   1     0.03  -0.40  -0.05     0.29  -0.00   0.10     0.11   0.16   0.06
    12   1    -0.10  -0.22   0.20    -0.31   0.01   0.09     0.10   0.32  -0.26
    13   1     0.02   0.02  -0.06     0.19  -0.14  -0.33    -0.18  -0.27   0.35
    14   1    -0.02   0.02   0.06    -0.19  -0.14   0.33    -0.18   0.27   0.35
    15   1     0.10  -0.22  -0.20     0.31   0.01  -0.09     0.10  -0.32  -0.26
                     10                     11                     12
                      A                      A                      A
 Frequencies --    695.2540               748.3975               809.3384
 Red. masses --      1.6937                 2.2081                 1.8702
 Frc consts  --      0.4824                 0.7287                 0.7218
 IR Inten    --      0.2411                 4.5576                 2.5587
 RamAct Fr= 1--      7.3828                16.1138                13.0904
  Dep-P Fr= 1--      0.3807                 0.7500                 0.4388
  Dep-U Fr= 1--      0.5514                 0.8571                 0.6100
 Alpha2 Fr= 1--      0.0585                 0.0000                 0.0839
 Beta2  Fr= 1--      0.6785                 2.3020                 1.3309
 AlphaG Fr= 1--      0.5547                -0.0000                -1.0465
 Gamma2 Fr= 1--     -0.7280                 6.9156                -6.9210
 Delta2 Fr= 1--     -2.3390                -2.5808                 5.0945
 Raman1 Fr= 1--      29.531                 64.455                 52.362
 ROA1   Fr= 1--    -144.739                581.308               -501.395
 CID1   Fr= 1--      -4.901                  9.019                 -9.576
 Raman2 Fr= 1--       8.142                 27.624                 15.970
 ROA2   Fr= 1--       1.239                186.621               -206.861
 CID2   Fr= 1--       0.152                  6.756                -12.953
 Raman3 Fr= 1--      16.284                 55.247                 31.940
 ROA3   Fr= 1--    -144.739                581.308               -501.395
 CID3   Fr= 1--      -8.888                 10.522                -15.698
 RC180  Fr= 1--       0.103                  0.714                  0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.02    -0.12   0.01   0.03    -0.04   0.05  -0.01
     2   6    -0.00  -0.06  -0.00    -0.02  -0.00   0.18     0.00   0.19   0.00
     3   6    -0.11  -0.03   0.03     0.04  -0.06  -0.04     0.03  -0.07   0.01
     4   6    -0.09   0.06   0.03     0.09  -0.08  -0.05     0.08  -0.07  -0.04
     5   6    -0.05  -0.02  -0.02    -0.12  -0.01   0.03     0.04   0.05   0.01
     6   6     0.11  -0.03  -0.03     0.04   0.06  -0.04    -0.03  -0.07  -0.01
     7   6     0.09   0.06  -0.03     0.09   0.08  -0.05    -0.08  -0.07   0.04
     8   1     0.01  -0.00  -0.01    -0.36  -0.05  -0.28    -0.17   0.01  -0.19
     9   1    -0.15  -0.08  -0.01     0.19  -0.26   0.13     0.29  -0.01   0.05
    10   1    -0.01  -0.00   0.01    -0.36   0.05  -0.28     0.17   0.01   0.19
    11   1     0.15  -0.08   0.01     0.19   0.26   0.13    -0.29  -0.01  -0.05
    12   1    -0.09  -0.24   0.29     0.20   0.02  -0.17     0.02  -0.31   0.18
    13   1     0.01   0.50  -0.20     0.04  -0.20   0.08     0.20   0.20  -0.32
    14   1    -0.01   0.50   0.20     0.04   0.20   0.08    -0.20   0.20   0.32
    15   1     0.09  -0.24  -0.29     0.20  -0.02  -0.17    -0.02  -0.31  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.0447               914.6412               915.3032
 Red. masses --      2.1963                 1.3154                 1.3121
 Frc consts  --      1.0159                 0.6483                 0.6477
 IR Inten    --     38.0224                43.4456                40.7301
 RamAct Fr= 1--      4.3723                 3.0109                11.0146
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7469
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8551
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      0.6246                 0.4301                 1.5698
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0284
 Gamma2 Fr= 1--      1.1100                 0.8635                 1.2757
 Delta2 Fr= 1--      0.5349                 0.1374                -1.2700
 Raman1 Fr= 1--      17.489                 12.043                 44.058
 ROA1   Fr= 1--     123.677                 87.295                 81.824
 CID1   Fr= 1--       7.072                  7.248                  1.857
 Raman2 Fr= 1--       7.495                  5.161                 18.838
 ROA2   Fr= 1--      22.361                 19.626                 40.777
 CID2   Fr= 1--       2.983                  3.802                  2.165
 Raman3 Fr= 1--      14.991                 10.323                 37.675
 ROA3   Fr= 1--     123.677                 87.295                 81.824
 CID3   Fr= 1--       8.250                  8.456                  2.172
 RC180  Fr= 1--       0.714                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.16  -0.09     0.00   0.01  -0.01     0.00   0.01  -0.00
     2   6    -0.10   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.05   0.03   0.08     0.01   0.02  -0.02     0.01   0.02  -0.02
     4   6     0.01   0.05   0.05    -0.03  -0.08   0.08    -0.03  -0.08   0.07
     5   6    -0.01   0.16  -0.09     0.00  -0.01  -0.01    -0.00   0.01   0.00
     6   6     0.05  -0.03   0.08     0.01  -0.02  -0.02    -0.01   0.02   0.02
     7   6     0.01  -0.05   0.05    -0.03   0.08   0.08     0.03  -0.08  -0.07
     8   1    -0.21   0.13  -0.36    -0.03  -0.02   0.02     0.04   0.03  -0.03
     9   1     0.29  -0.01  -0.01     0.02   0.03  -0.02    -0.03  -0.03   0.01
    10   1    -0.21  -0.13  -0.36    -0.03   0.02   0.02    -0.04   0.03   0.03
    11   1     0.29   0.01  -0.01     0.02  -0.03  -0.02     0.03  -0.03  -0.01
    12   1    -0.30   0.12   0.08     0.14   0.37  -0.34     0.15   0.36  -0.34
    13   1     0.11  -0.11  -0.19     0.12   0.32  -0.30     0.12   0.32  -0.30
    14   1     0.11   0.11  -0.19     0.12  -0.32  -0.30    -0.12   0.32   0.30
    15   1    -0.30  -0.12   0.08     0.14  -0.37  -0.34    -0.15   0.36   0.35
                     16                     17                     18
                      A                      A                      A
 Frequencies --    949.9981              1002.4155              1025.8397
 Red. masses --      2.1793                 1.4787                 1.2819
 Frc consts  --      1.1588                 0.8755                 0.7948
 IR Inten    --      2.8694                 1.6759                 2.0820
 RamAct Fr= 1--     46.2147                 1.2256                 1.8684
  Dep-P Fr= 1--      0.0140                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0276                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.9939                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2128                 0.1751                 0.2669
 AlphaG Fr= 1--      0.7798                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.7998                 3.3407                 1.4913
 Delta2 Fr= 1--      1.2674                -1.2412                -0.5721
 Raman1 Fr= 1--     184.859                  4.902                  7.474
 ROA1   Fr= 1--     117.340                280.985                124.860
 CID1   Fr= 1--       0.635                 57.316                 16.707
 Raman2 Fr= 1--       2.554                  2.101                  3.203
 ROA2   Fr= 1--       9.057                 90.106                 40.368
 CID2   Fr= 1--       3.546                 42.887                 12.603
 Raman3 Fr= 1--       5.108                  4.202                  6.406
 ROA3   Fr= 1--     117.340                280.985                124.860
 CID3   Fr= 1--      22.971                 66.868                 19.491
 RC180  Fr= 1--      -0.945                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09   0.17    -0.01   0.06  -0.09    -0.09   0.02   0.02
     2   6    -0.00  -0.04  -0.00    -0.06  -0.00   0.09    -0.00  -0.00   0.02
     3   6    -0.02  -0.03  -0.04    -0.00  -0.03   0.03     0.00   0.03  -0.04
     4   6     0.02  -0.07  -0.08     0.03   0.01   0.01     0.02  -0.00   0.02
     5   6    -0.04   0.09  -0.17    -0.01  -0.06  -0.09    -0.09  -0.02   0.02
     6   6     0.02  -0.03   0.04    -0.00   0.03   0.03     0.00  -0.03  -0.04
     7   6    -0.02  -0.07   0.08     0.03  -0.01   0.01     0.02   0.00   0.02
     8   1     0.33   0.21  -0.04     0.02  -0.11   0.33     0.59   0.24  -0.05
     9   1    -0.12   0.21  -0.21     0.14   0.41  -0.20     0.21  -0.01   0.05
    10   1    -0.33   0.21   0.04     0.02   0.11   0.33     0.59  -0.24  -0.05
    11   1     0.12   0.21   0.21     0.14  -0.41  -0.20     0.21   0.01   0.05
    12   1     0.34  -0.17  -0.08    -0.04   0.18  -0.12    -0.09  -0.00   0.04
    13   1    -0.07   0.08   0.17     0.00  -0.28   0.07     0.08  -0.06  -0.12
    14   1     0.07   0.08  -0.17     0.00   0.28   0.07     0.08   0.06  -0.12
    15   1    -0.34  -0.17   0.08    -0.04  -0.18  -0.12    -0.09   0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1035.6499              1058.7392              1075.3287
 Red. masses --      1.4966                 1.3384                 1.6179
 Frc consts  --      0.9458                 0.8839                 1.1023
 IR Inten    --      0.8896                 0.1480                 4.0492
 RamAct Fr= 1--      0.1634                 7.0704                 0.0829
  Dep-P Fr= 1--      0.3469                 0.5811                 0.7500
  Dep-U Fr= 1--      0.5151                 0.7351                 0.8571
 Alpha2 Fr= 1--      0.0014                 0.0224                 0.0000
 Beta2  Fr= 1--      0.0140                 0.8662                 0.0118
 AlphaG Fr= 1--     -0.0717                 0.2898                 0.0000
 Gamma2 Fr= 1--      0.5702                 1.7671                 0.8630
 Delta2 Fr= 1--      0.0432                 3.1577                 0.1797
 Raman1 Fr= 1--       0.654                 28.281                  0.332
 ROA1   Fr= 1--      56.118                270.690                 88.594
 CID1   Fr= 1--      85.866                  9.571                267.137
 Raman2 Fr= 1--       0.168                 10.395                  0.142
 ROA2   Fr= 1--      13.338                 17.149                 19.273
 CID2   Fr= 1--      79.233                  1.650                135.600
 Raman3 Fr= 1--       0.337                 20.789                  0.284
 ROA3   Fr= 1--      56.118                270.690                 88.594
 CID3   Fr= 1--     166.685                 13.021                311.659
 RC180  Fr= 1--       0.030                  0.470                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.08   0.07    -0.11   0.01   0.03    -0.05   0.04   0.03
     2   6    -0.00  -0.00   0.00     0.00   0.06  -0.00     0.09  -0.00  -0.16
     3   6     0.03   0.07  -0.07    -0.00  -0.01   0.00    -0.01  -0.04   0.06
     4   6    -0.00  -0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00  -0.02
     5   6     0.03  -0.08  -0.07     0.11   0.01  -0.03    -0.05  -0.04   0.03
     6   6    -0.03   0.07   0.07     0.00  -0.01  -0.00    -0.01   0.04   0.06
     7   6     0.00  -0.01  -0.01    -0.02  -0.01   0.01    -0.03  -0.00  -0.02
     8   1    -0.20  -0.23   0.35    -0.18  -0.11   0.10    -0.12  -0.06  -0.01
     9   1     0.16   0.40  -0.18    -0.64  -0.12  -0.08     0.61   0.18   0.06
    10   1     0.20  -0.23  -0.35     0.18  -0.11  -0.10    -0.12   0.06  -0.01
    11   1    -0.16   0.40   0.18     0.64  -0.12   0.08     0.61  -0.18   0.06
    12   1    -0.04  -0.09   0.08     0.02  -0.02  -0.00     0.11  -0.06  -0.01
    13   1     0.04   0.11  -0.10     0.03  -0.03  -0.04    -0.07   0.14   0.08
    14   1    -0.04   0.11   0.10    -0.03  -0.03   0.04    -0.07  -0.14   0.08
    15   1     0.04  -0.09  -0.08    -0.02  -0.02   0.00     0.11   0.06  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1091.3070              1128.8599              1156.0010
 Red. masses --      1.5642                 2.0981                 2.4078
 Frc consts  --      1.0976                 1.5753                 1.8958
 IR Inten    --      1.8937                28.2433                 7.3787
 RamAct Fr= 1--      1.0634                 0.7601                 2.5455
  Dep-P Fr= 1--      0.2620                 0.7500                 0.1719
  Dep-U Fr= 1--      0.4152                 0.8571                 0.2934
 Alpha2 Fr= 1--      0.0122                 0.0000                 0.0372
 Beta2  Fr= 1--      0.0736                 0.1086                 0.1245
 AlphaG Fr= 1--      0.1927                 0.0000                 0.3237
 Gamma2 Fr= 1--     -1.0975                -1.1095                -1.4914
 Delta2 Fr= 1--      0.6627                -0.4206                -0.6414
 Raman1 Fr= 1--       4.254                  3.040                 10.182
 ROA1   Fr= 1--     -84.151               -119.975               -163.703
 CID1   Fr= 1--     -19.783                -39.459                -16.077
 Raman2 Fr= 1--       0.883                  1.303                  1.494
 ROA2   Fr= 1--     -31.641                -23.263                -30.663
 CID2   Fr= 1--     -35.828                -17.853                -20.527
 Raman3 Fr= 1--       1.766                  2.606                  2.988
 ROA3   Fr= 1--     -84.151               -119.975               -163.703
 CID3   Fr= 1--     -47.643                -46.036                -54.794
 RC180  Fr= 1--      -0.170                  0.714                 -0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.01    -0.04  -0.04  -0.08    -0.00  -0.10  -0.07
     2   6     0.00   0.16   0.00    -0.04   0.00   0.09    -0.00   0.12   0.00
     3   6    -0.04  -0.03  -0.02     0.11   0.07   0.09     0.11   0.05   0.12
     4   6     0.04   0.02   0.03    -0.08  -0.03  -0.06    -0.08  -0.03  -0.06
     5   6    -0.03  -0.07  -0.01    -0.04   0.04  -0.08     0.00  -0.10   0.07
     6   6     0.04  -0.03   0.02     0.11  -0.07   0.09    -0.11   0.05  -0.12
     7   6    -0.04   0.02  -0.03    -0.08   0.03  -0.06     0.08  -0.03   0.06
     8   1     0.54   0.10   0.18     0.19   0.12  -0.01     0.26  -0.01   0.12
     9   1    -0.11   0.09  -0.06    -0.07   0.05  -0.08    -0.08   0.01   0.03
    10   1    -0.54   0.10  -0.18     0.19  -0.12  -0.01    -0.26  -0.01  -0.12
    11   1     0.11   0.09   0.06    -0.07  -0.05  -0.08     0.08   0.01  -0.03
    12   1    -0.21   0.09   0.04     0.38  -0.17  -0.06     0.34  -0.19  -0.03
    13   1     0.12  -0.15  -0.17    -0.20   0.29   0.29    -0.18   0.33   0.23
    14   1    -0.12  -0.15   0.17    -0.20  -0.29   0.29     0.18   0.33  -0.23
    15   1     0.21   0.09  -0.04     0.38   0.17  -0.06    -0.34  -0.19   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1309.2214              1444.3783              1445.4673
 Red. masses --      3.4845                 1.0925                 1.0902
 Frc consts  --      3.5190                 1.3429                 1.3421
 IR Inten    --     25.2821                 0.8215                 2.2876
 RamAct Fr= 1--      5.9662                27.9344                12.3540
  Dep-P Fr= 1--      0.7500                 0.5443                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7049                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1102                 0.0000
 Beta2  Fr= 1--      0.8523                 3.2820                 1.7649
 AlphaG Fr= 1--      0.0000                -0.0799                -0.0000
 Gamma2 Fr= 1--     -1.3204                -8.4186                 5.1987
 Delta2 Fr= 1--     -1.9377                 2.8379                -0.0144
 Raman1 Fr= 1--      23.865                111.738                 49.416
 ROA1   Fr= 1--    -188.765               -717.374                498.611
 CID1   Fr= 1--      -7.910                 -6.420                 10.090
 Raman2 Fr= 1--      10.228                 39.384                 21.178
 ROA2   Fr= 1--     -16.187               -224.750                124.883
 CID2   Fr= 1--      -1.583                 -5.707                  5.897
 Raman3 Fr= 1--      20.456                 78.768                 42.357
 ROA3   Fr= 1--    -188.765               -717.374                498.611
 CID3   Fr= 1--      -9.228                 -9.107                 11.772
 RC180  Fr= 1--       0.714                  0.410                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.06    -0.02  -0.02  -0.03    -0.01  -0.03  -0.04
     2   6     0.37  -0.00   0.17    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     3   6     0.01  -0.07  -0.07     0.02  -0.03  -0.02     0.01  -0.02  -0.01
     4   6    -0.07   0.07   0.05     0.01  -0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.06   0.03  -0.06     0.02  -0.02   0.03    -0.01   0.03  -0.04
     6   6     0.01   0.07  -0.07    -0.02  -0.03   0.02     0.01   0.02  -0.01
     7   6    -0.07  -0.07   0.05    -0.01  -0.01   0.00     0.01   0.01  -0.00
     8   1    -0.08   0.06  -0.19    -0.02   0.04  -0.38     0.01  -0.05   0.45
     9   1    -0.10   0.15  -0.11    -0.13   0.35  -0.10     0.15  -0.42   0.11
    10   1    -0.08  -0.06  -0.19     0.02   0.04   0.38     0.01   0.05   0.45
    11   1    -0.10  -0.15  -0.11     0.13   0.35   0.10     0.15   0.42   0.11
    12   1    -0.38   0.19   0.05    -0.31   0.11  -0.01    -0.19   0.07  -0.01
    13   1    -0.15   0.24   0.19    -0.07   0.22   0.21    -0.05   0.14   0.13
    14   1    -0.15  -0.24   0.19     0.07   0.22  -0.21    -0.05  -0.14   0.13
    15   1    -0.38  -0.19   0.05     0.31   0.11   0.01    -0.19  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1471.7454              1489.5646              1805.3585
 Red. masses --      1.1512                 1.3790                 8.6900
 Frc consts  --      1.4691                 1.8028                16.6878
 IR Inten    --      0.4636                 3.9821                 9.4961
 RamAct Fr= 1--     10.8629                17.2722               192.2261
  Dep-P Fr= 1--      0.0898                 0.7500                 0.1049
  Dep-U Fr= 1--      0.1649                 0.8571                 0.1899
 Alpha2 Fr= 1--      0.1950                 0.0000                 3.3255
 Beta2  Fr= 1--      0.2985                 2.4675                 6.0825
 AlphaG Fr= 1--      0.0792                -0.0000                 1.4865
 Gamma2 Fr= 1--      0.4428                -1.1741               -22.7512
 Delta2 Fr= 1--      0.4779                -4.4235                 7.1457
 Raman1 Fr= 1--      43.452                 69.089                768.904
 ROA1   Fr= 1--      57.803               -254.263              -1955.455
 CID1   Fr= 1--       1.330                 -3.680                 -2.543
 Raman2 Fr= 1--       3.582                 29.610                 72.990
 ROA2   Fr= 1--       6.804                  7.210               -603.196
 CID2   Fr= 1--       1.900                  0.243                 -8.264
 Raman3 Fr= 1--       7.163                 59.219                145.979
 ROA3   Fr= 1--      57.803               -254.263              -1955.455
 CID3   Fr= 1--       8.069                 -4.294                -13.395
 RC180  Fr= 1--      -0.670                  0.714                 -0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.04    -0.01  -0.04  -0.04    -0.01   0.06   0.06
     2   6     0.00  -0.02   0.00     0.10  -0.00   0.03    -0.00   0.06  -0.00
     3   6    -0.03   0.02   0.01    -0.03   0.01   0.00     0.34  -0.29  -0.18
     4   6    -0.03   0.03   0.02    -0.06   0.05   0.03    -0.23   0.20   0.12
     5   6     0.00  -0.03   0.04    -0.01   0.04  -0.04     0.01   0.06  -0.06
     6   6     0.03   0.02  -0.01    -0.03  -0.01   0.00    -0.34  -0.29   0.18
     7   6     0.03   0.03  -0.02    -0.06  -0.05   0.03     0.23   0.20  -0.12
     8   1    -0.01   0.02  -0.32    -0.03  -0.01   0.18     0.02   0.05   0.04
     9   1    -0.09   0.30  -0.07     0.05  -0.18   0.03     0.03  -0.03  -0.04
    10   1     0.01   0.02   0.32    -0.03   0.01   0.18    -0.02   0.05  -0.04
    11   1     0.09   0.30   0.07     0.05   0.18   0.03    -0.03  -0.03   0.04
    12   1     0.36  -0.11   0.02     0.43  -0.13   0.04     0.20   0.07   0.16
    13   1     0.08  -0.28  -0.26     0.08  -0.32  -0.32    -0.16  -0.10  -0.18
    14   1    -0.08  -0.28   0.26     0.08   0.32  -0.32     0.16  -0.10   0.18
    15   1    -0.36  -0.11  -0.02     0.43   0.13   0.04    -0.20   0.07  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1848.5134              3093.6953              3094.2841
 Red. masses --      9.4405                 1.0511                 1.0513
 Frc consts  --     19.0061                 5.9271                 5.9308
 IR Inten    --     51.9886                13.4649                18.2833
 RamAct Fr= 1--     56.1155               396.5638                30.7953
  Dep-P Fr= 1--      0.7500                 0.0279                 0.7499
  Dep-U Fr= 1--      0.8571                 0.0542                 0.8571
 Alpha2 Fr= 1--      0.0000                 8.2553                 0.0000
 Beta2  Fr= 1--      8.0165                 3.5823                 4.3991
 AlphaG Fr= 1--      0.0000                 1.3885                 0.0000
 Gamma2 Fr= 1--     21.2197               -18.9932                25.2577
 Delta2 Fr= 1--    -11.0724                -2.0015                -9.3867
 Raman1 Fr= 1--     224.462               1586.255                123.181
 ROA1   Fr= 1--    1682.772              -1887.392               2124.369
 CID1   Fr= 1--       7.497                 -1.190                 17.246
 Raman2 Fr= 1--      96.198                 42.987                 52.790
 ROA2   Fr= 1--     597.851               -439.824                681.279
 CID2   Fr= 1--       6.215                -10.231                 12.906
 Raman3 Fr= 1--     192.396                 85.975                105.579
 ROA3   Fr= 1--    1682.772              -1887.392               2124.369
 CID3   Fr= 1--       8.746                -21.953                 20.121
 RC180  Fr= 1--       0.714                 -0.892                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.08   0.08    -0.01  -0.03  -0.03    -0.01  -0.03  -0.03
     2   6    -0.28   0.00  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.35  -0.30  -0.18    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.21   0.19   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.08   0.08     0.01  -0.03   0.03    -0.01   0.03  -0.03
     6   6     0.35   0.30  -0.18     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.21  -0.19   0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1     0.04  -0.06   0.00    -0.17   0.47   0.09     0.17  -0.47  -0.09
     9   1    -0.01   0.02   0.07     0.06  -0.14  -0.46    -0.06   0.14   0.46
    10   1     0.04   0.06   0.00     0.17   0.47  -0.09     0.17   0.47  -0.09
    11   1    -0.01  -0.02   0.07    -0.06  -0.14   0.46    -0.06  -0.14   0.47
    12   1     0.16   0.09   0.15     0.00   0.01   0.01     0.00   0.01   0.01
    13   1    -0.15  -0.09  -0.15    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    14   1    -0.15   0.09  -0.15     0.01  -0.00   0.00    -0.01   0.00  -0.01
    15   1     0.16  -0.09   0.15    -0.00   0.01  -0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3132.6092              3132.8525              3171.9668
 Red. masses --      1.0573                 1.0573                 1.1170
 Frc consts  --      6.1129                 6.1138                 6.6213
 IR Inten    --     16.8296                 5.4329                 5.3986
 RamAct Fr= 1--     49.8777               335.8174               154.9901
  Dep-P Fr= 1--      0.7498                 0.0389                 0.7475
  Dep-U Fr= 1--      0.8570                 0.0748                 0.8555
 Alpha2 Fr= 1--      0.0002                 6.8110                 0.0066
 Beta2  Fr= 1--      7.1241                 4.1891                22.0989
 AlphaG Fr= 1--     -0.0001                -1.9064                -0.1920
 Gamma2 Fr= 1--    -11.4288                 9.7628                -7.8479
 Delta2 Fr= 1--     -8.3133                 1.1877                 0.8897
 Raman1 Fr= 1--     199.511               1343.270                619.961
 ROA1   Fr= 1--   -1363.191                975.229               -724.926
 CID1   Fr= 1--      -6.833                  0.726                 -1.169
 Raman2 Fr= 1--      85.489                 50.270                265.187
 ROA2   Fr= 1--    -207.785                224.805               -195.467
 CID2   Fr= 1--      -2.431                  4.472                 -0.737
 Raman3 Fr= 1--     170.979                100.539                530.373
 ROA3   Fr= 1--   -1363.191                975.229               -724.926
 CID3   Fr= 1--      -7.973                  9.700                 -1.367
 RC180  Fr= 1--       0.714                 -0.850                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.05
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.03   0.03   0.02    -0.03   0.03   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.05
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03  -0.03   0.02     0.03   0.03  -0.02    -0.00   0.00  -0.00
     8   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.16   0.45   0.07
     9   1    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.06   0.13   0.49
    10   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.16   0.45  -0.07
    11   1    -0.00  -0.00   0.02    -0.00  -0.00   0.01     0.06   0.13  -0.49
    12   1    -0.11  -0.31  -0.38    -0.11  -0.31  -0.38    -0.00  -0.00   0.00
    13   1     0.46  -0.00   0.19     0.46  -0.00   0.19    -0.00   0.00  -0.00
    14   1     0.46   0.00   0.19    -0.46  -0.00  -0.19     0.00   0.00   0.00
    15   1    -0.11   0.31  -0.38     0.11  -0.31   0.38     0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3172.8859              3212.6937              3212.7775
 Red. masses --      1.1156                 1.1164                 1.1164
 Frc consts  --      6.6173                 6.7893                 6.7896
 IR Inten    --      5.4492                12.7560                 1.7202
 RamAct Fr= 1--     24.3804                44.9143               185.9304
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7133
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8327
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1181
 Beta2  Fr= 1--      3.4829                 6.4162                25.8025
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.4193
 Gamma2 Fr= 1--     25.3507               -19.8696                13.0296
 Delta2 Fr= 1--      7.3243                 4.2303                 4.7497
 Raman1 Fr= 1--      97.521                179.657                743.722
 ROA1   Fr= 1--    2668.043              -1772.108               1402.835
 CID1   Fr= 1--      27.359                 -9.864                  1.886
 Raman2 Fr= 1--      41.795                 76.994                309.630
 ROA2   Fr= 1--     549.822               -510.712                274.714
 CID2   Fr= 1--      13.155                 -6.633                  0.887
 Raman3 Fr= 1--      83.590                153.988                619.260
 ROA3   Fr= 1--    2668.043              -1772.108               1402.835
 CID3   Fr= 1--      31.918                -11.508                  2.265
 RC180  Fr= 1--       0.714                  0.714                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.05  -0.02  -0.05    -0.05  -0.03  -0.05
     5   6     0.02  -0.05  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.05   0.03  -0.05     0.05  -0.02   0.05
     8   1    -0.16   0.45   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1    -0.06   0.13   0.49     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.16  -0.46   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.06  -0.13   0.49     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00     0.10   0.31   0.37     0.10   0.32   0.38
    13   1    -0.00  -0.00  -0.00     0.46  -0.01   0.18     0.47  -0.01   0.18
    14   1    -0.00   0.00  -0.00     0.47   0.01   0.18    -0.46  -0.01  -0.18
    15   1     0.00  -0.00  -0.00     0.10  -0.31   0.38    -0.10   0.31  -0.37

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Molecular mass:    92.06260 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   360.58436 960.890031017.99593
           X            1.00000  -0.00000   0.00102
           Y            0.00000   1.00000  -0.00000
           Z           -0.00102   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.24020     0.09014     0.08508
 Rotational constants (GHZ):           5.00505     1.87820     1.77284
 Zero-point vibrational energy     322282.1 (Joules/Mol)
                                   77.02727 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    148.93   255.15   275.86   460.71   548.94
          (Kelvin)            591.24   686.71   898.21   954.49  1000.32
                             1076.78  1164.46  1274.82  1315.96  1316.92
                             1366.84  1442.25  1475.95  1490.07  1523.29
                             1547.16  1570.15  1624.18  1663.23  1883.68
                             2078.14  2079.71  2117.51  2143.15  2597.51
                             2659.60  4451.14  4451.98  4507.13  4507.48
                             4563.75  4565.08  4622.35  4622.47
 
 Zero-point correction=                           0.122751 (Hartree/Particle)
 Thermal correction to Energy=                    0.129773
 Thermal correction to Enthalpy=                  0.130717
 Thermal correction to Gibbs Free Energy=         0.092005
 Sum of electronic and zero-point Energies=           -271.411651
 Sum of electronic and thermal Energies=              -271.404629
 Sum of electronic and thermal Enthalpies=            -271.403685
 Sum of electronic and thermal Free Energies=         -271.442398
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   81.434             26.525             81.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.471
 Rotational               0.889              2.981             27.358
 Vibrational             79.656             20.563             14.647
 Vibration     1          0.605              1.946              3.387
 Vibration     2          0.628              1.870              2.356
 Vibration     3          0.634              1.851              2.211
 Vibration     4          0.706              1.635              1.309
 Vibration     5          0.751              1.510              1.033
 Vibration     6          0.775              1.446              0.923
 Vibration     7          0.834              1.300              0.717
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.479622D-42        -42.319101        -97.443331
 Total V=0       0.138766D+15         14.142284         32.563813
 Vib (Bot)       0.649772D-55        -55.187239       -127.073313
 Vib (Bot)    1  0.198132D+01          0.296954          0.683763
 Vib (Bot)    2  0.113361D+01          0.054462          0.125404
 Vib (Bot)    3  0.104318D+01          0.018360          0.042274
 Vib (Bot)    4  0.586993D+00         -0.231367         -0.532743
 Vib (Bot)    5  0.473387D+00         -0.324784         -0.747843
 Vib (Bot)    6  0.430240D+00         -0.366289         -0.843413
 Vib (Bot)    7  0.351228D+00         -0.454411         -1.046321
 Vib (V=0)       0.187995D+02          1.274146          2.933831
 Vib (V=0)    1  0.254343D+01          0.405421          0.933515
 Vib (V=0)    2  0.173898D+01          0.240294          0.553297
 Vib (V=0)    3  0.165682D+01          0.219275          0.504898
 Vib (V=0)    4  0.127108D+01          0.104172          0.239865
 Vib (V=0)    5  0.118855D+01          0.075016          0.172730
 Vib (V=0)    6  0.115963D+01          0.064318          0.148097
 Vib (V=0)    7  0.111103D+01          0.045727          0.105290
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.347199D+08          7.540579         17.362824
 Rotational      0.212598D+06          5.327559         12.267158
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333                                                1 1          1111     1    11111111                                       
   22111100                                                8 8          4444     3    110000009998   8 7 66 6     4 43  3   11  1    
   11773399                                                4 0          9744     0    529753205118   0 4 96 2     7 18  2   97  0    
   33323344                                                9 5          0254     9    691596620556   9 8 53 4     7 12  0   27  4    
 
   XXXXXXXX                                                X X          XXXX     X    XXXXXXXXXXXX   X X X  X     X XX  X    X  X    
    XXXXXXX                                                X X          X        X    XX X     XXX     X          X     X            
    X   XXX                                                X X                   X    XX       XXX                                   
    X   XXX                                                X X                   X     X       XXX                                   
    X   XXX                                                X                     X     X       XXX                                   
        XX                                                 X                     X     X       XXX                                   
         X                                                 X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                           X       XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XX                                    
                                                           X                                    X                                    
                                                           X                                                                         
                                                           X                                                                         
                                                           X                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000237   -0.000001110   -0.000001583
      2        6          -0.000000601    0.000000846    0.000000603
      3        6           0.000000384    0.000000780    0.000000155
      4        6           0.000000514    0.000000411   -0.000000458
      5        6          -0.000000527   -0.000000140   -0.000000406
      6        6           0.000000924    0.000000056    0.000001234
      7        6          -0.000000464   -0.000000285    0.000000268
      8        1          -0.000000310    0.000000080    0.000000346
      9        1          -0.000000411   -0.000000120    0.000000121
     10        1           0.000000469    0.000000127   -0.000000147
     11        1           0.000000365    0.000000087    0.000000077
     12        1          -0.000000566   -0.000000370   -0.000000960
     13        1          -0.000000263   -0.000000255   -0.000000759
     14        1          -0.000000003    0.000000106    0.000001009
     15        1           0.000000253   -0.000000212    0.000000499
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001583 RMS     0.000000561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.117839D+03 -0.413995D-05 -0.467985D+01
      2  -0.413995D-05  0.826259D+02 -0.191613D-04
      3  -0.467985D+01 -0.191613D-04  0.753560D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.540220D+01 -0.830522D-04  0.452274D+01
      2   0.356578D-04  0.196079D+02  0.257591D-03
      3   0.340416D+02  0.421003D-03 -0.157732D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.107660D-02 -0.779769D+02 -0.894539D-03
      2  -0.154052D-02  0.277340D+02  0.220474D-03
      3   0.463913D-03  0.502429D+02  0.674065D-03
      4  -0.109990D+03 -0.144100D-02  0.605224D+02
      5  -0.941044D-03  0.613291D+02  0.120973D-02
      6   0.401879D+02 -0.121684D-03  0.419978D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101019D+02  0.407370D+01  0.548582D+01 -0.275120D+01 -0.138454D+01
      2   0.407370D+01 -0.245735D+01  0.246397D+00 -0.138454D+01 -0.440257D+01
      3   0.548582D+01  0.246397D+00  0.181343D+01  0.386541D-01 -0.185730D+00
                 6             7             8             9            10 
      1   0.386541D-01  0.319119D+01  0.269168D+01  0.225508D+01  0.648052D-03
      2  -0.185730D+00  0.269168D+01  0.165000D+01  0.377694D+00 -0.102954D+02
      3   0.211761D+01  0.225508D+01  0.377694D+00 -0.478056D+01 -0.112205D-03
                11            12            13            14            15 
      1  -0.102954D+02 -0.112205D-03 -0.812530D+01  0.153133D-03 -0.457035D+01
      2   0.498649D-04 -0.822543D+00  0.153133D-03 -0.143003D+01  0.120188D-04
      3  -0.822543D+00  0.823391D-05 -0.457035D+01  0.120188D-04 -0.132728D+01
                16            17            18            19            20 
      1  -0.134887D-03 -0.653625D+01 -0.123726D-03 -0.121785D+02  0.760616D+01
      2  -0.653625D+01  0.000000D+00 -0.129281D+01  0.760616D+01 -0.591841D+01
      3  -0.123726D-03 -0.129281D+01 -0.100629D-03  0.348878D+01 -0.816025D+00
                21            22            23            24            25 
      1   0.348878D+01  0.139830D+02 -0.513329D+01 -0.291044D+00  0.112707D+02
      2  -0.816025D+00 -0.513329D+01  0.691135D+01  0.988149D-01 -0.572469D+00
      3  -0.350895D+01 -0.291044D+00  0.988149D-01  0.132559D+01 -0.147087D+01
                26            27            28            29            30 
      1  -0.572469D+00 -0.147087D+01  0.579359D+01 -0.407883D+01 -0.702915D+01
      2   0.821766D+00  0.677085D+00 -0.407883D+01  0.461234D+01  0.110437D+01
      3   0.677085D+00  0.263115D+01 -0.702915D+01  0.110437D+01  0.416537D+01
                31            32            33            34            35 
      1  -0.733184D+01  0.801918D+01 -0.107588D+01 -0.117919D+02  0.479757D-01
      2   0.801918D+01 -0.879413D+01  0.222535D+01  0.479757D-01  0.276713D+01
      3  -0.107588D+01  0.222535D+01  0.141175D+01  0.555329D+01  0.756125D+00
                36            37            38            39            40 
      1   0.555329D+01 -0.101020D+02  0.407383D+01 -0.548571D+01 -0.275118D+01
      2   0.756125D+00  0.407383D+01  0.245733D+01  0.246522D+00  0.138446D+01
      3  -0.234952D+01 -0.548571D+01  0.246522D+00 -0.181345D+01  0.387551D-01
                41            42            43            44            45 
      1   0.138446D+01  0.387551D-01 -0.319114D+01  0.269182D+01 -0.225507D+01
      2  -0.440264D+01  0.185662D+00  0.269182D+01 -0.165002D+01  0.377382D+00
      3   0.185662D+00  0.211739D+01 -0.225507D+01  0.377382D+00  0.478087D+01
                46            47            48            49            50 
      1   0.121775D+02  0.760608D+01 -0.348864D+01  0.139830D+02  0.513328D+01
      2   0.760608D+01  0.591840D+01 -0.816029D+00  0.513328D+01  0.691151D+01
      3  -0.348864D+01 -0.816029D+00  0.350889D+01 -0.291065D+00 -0.988696D-01
                51            52            53            54            55 
      1  -0.291065D+00 -0.112705D+02 -0.572466D+00  0.147094D+01 -0.579305D+01
      2  -0.988696D-01 -0.572466D+00 -0.821823D+00  0.677233D+00 -0.407881D+01
      3   0.132574D+01  0.147094D+01  0.677233D+00 -0.263130D+01  0.702907D+01
                56            57            58            59            60 
      1  -0.407881D+01  0.702907D+01 -0.733174D+01 -0.801911D+01 -0.107579D+01
      2  -0.461236D+01  0.110449D+01 -0.801911D+01 -0.879408D+01 -0.222547D+01
      3   0.110449D+01 -0.416543D+01 -0.107579D+01 -0.222547D+01  0.141157D+01
                61            62            63            64            65 
      1   0.117918D+02  0.480793D-01 -0.555341D+01 -0.104419D+01  0.155720D+01
      2   0.480793D-01 -0.276722D+01  0.755923D+00  0.155720D+01 -0.310734D+01
      3  -0.555341D+01  0.755923D+00  0.234969D+01  0.564970D-01  0.806238D+00
                66            67            68            69            70 
      1   0.564970D-01  0.378308D+01 -0.308792D+01  0.813932D+00  0.157428D+01
      2   0.806238D+00 -0.308792D+01  0.106079D+02 -0.222838D+01 -0.348946D+00
      3  -0.798456D+00  0.813932D+00 -0.222838D+01  0.176727D+01 -0.405395D+00
                71            72            73            74            75 
      1  -0.348946D+00 -0.405395D+00  0.104627D+01 -0.782289D-01 -0.413818D+00
      2   0.778027D+00  0.123081D+01 -0.782289D-01 -0.405993D+00 -0.756573D-01
      3   0.123081D+01 -0.124408D+01 -0.413818D+00 -0.756573D-01  0.106381D+01
                76            77            78            79            80 
      1  -0.674088D+00 -0.517577D+00  0.221181D-01 -0.213305D+01 -0.287078D+00
      2  -0.517577D+00  0.683555D+00 -0.114573D+01 -0.287078D+00 -0.189543D+01
      3   0.221181D-01 -0.114573D+01 -0.182333D+01 -0.763530D+00  0.175216D+01
                81            82            83            84            85 
      1  -0.763530D+00  0.104417D+01  0.155717D+01 -0.564714D-01  0.378310D+01
      2   0.175216D+01  0.155717D+01  0.310727D+01  0.806284D+00  0.308789D+01
      3  -0.111825D+02 -0.564714D-01  0.806284D+00  0.798485D+00  0.813987D+00
                86            87            88            89            90 
      1   0.308789D+01  0.813987D+00 -0.157417D+01 -0.348872D+00  0.405406D+00
      2   0.106078D+02  0.222855D+01 -0.348872D+00 -0.777829D+00  0.123081D+01
      3   0.222855D+01  0.176734D+01  0.405406D+00  0.123081D+01  0.124417D+01
                91            92            93            94            95 
      1  -0.104626D+01 -0.782500D-01  0.413797D+00 -0.674123D+00  0.517584D+00
      2  -0.782500D-01  0.406008D+00 -0.756112D-01  0.517584D+00  0.683416D+00
      3   0.413797D+00 -0.756112D-01 -0.106379D+01  0.221104D-01  0.114573D+01
                96            97            98            99           100 
      1   0.221104D-01  0.213303D+01 -0.287083D+00  0.763510D+00  0.214610D+01
      2   0.114573D+01 -0.287083D+00  0.189534D+01  0.175190D+01 -0.120452D+01
      3  -0.182359D+01  0.763510D+00  0.175190D+01  0.111824D+02 -0.318998D+00
               101           102           103           104           105 
      1  -0.120452D+01 -0.318998D+00 -0.212199D+01  0.138629D+01  0.158314D+01
      2  -0.402639D+00 -0.674523D+00  0.138629D+01 -0.385075D+01 -0.323030D+01
      3  -0.674523D+00 -0.119507D+01  0.158314D+01 -0.323030D+01 -0.371923D+01
               106           107           108           109           110 
      1  -0.110807D+01  0.148953D+01  0.112200D+01  0.133421D+02 -0.272774D+01
      2   0.148953D+01 -0.438660D+01 -0.355903D+01 -0.272774D+01  0.184950D+01
      3   0.112200D+01 -0.355903D+01 -0.459891D+01  0.142171D+01 -0.179643D+00
               111           112           113           114           115 
      1   0.142171D+01 -0.824285D+00  0.126518D+01  0.119419D+01  0.480254D+01
      2  -0.179643D+00  0.126518D+01 -0.440196D+00 -0.527094D+00  0.247321D+00
      3   0.127586D+01  0.119419D+01 -0.527094D+00 -0.415830D+00  0.147789D+01
               116           117           118           119           120 
      1   0.247321D+00  0.147789D+01 -0.133422D+02 -0.272782D+01 -0.142175D+01
      2  -0.466564D+00 -0.588169D+00 -0.272782D+01 -0.184953D+01 -0.179676D+00
      3  -0.588169D+00  0.564904D+00 -0.142175D+01 -0.179676D+00 -0.127584D+01
               121           122           123           124           125 
      1  -0.824412D+00 -0.126527D+01  0.119417D+01 -0.480257D+01  0.247274D+00
      2  -0.126527D+01 -0.440279D+00  0.527112D+00  0.247274D+00  0.466575D+00
      3   0.119417D+01  0.527112D+00 -0.415838D+00 -0.147784D+01 -0.588154D+00
               126           127           128           129           130 
      1  -0.147784D+01 -0.214605D+01 -0.120451D+01  0.318970D+00 -0.212199D+01
      2  -0.588154D+00 -0.120451D+01  0.402728D+00 -0.674593D+00 -0.138631D+01
      3  -0.564925D+00  0.318970D+00 -0.674593D+00  0.119512D+01  0.158307D+01
               131           132           133           134           135 
      1  -0.138631D+01  0.158307D+01  0.110804D+01  0.148948D+01 -0.112188D+01
      2  -0.385093D+01  0.323034D+01  0.148948D+01  0.438665D+01 -0.355896D+01
      3   0.323034D+01 -0.371916D+01 -0.112188D+01 -0.355896D+01  0.459870D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.160066D+01 -0.391207D+01 -0.365214D+01 -0.469305D+00 -0.108401D+02
      2   0.845416D+00 -0.742331D-01  0.277524D+01 -0.499565D+01  0.640535D+01
      3   0.361693D+01  0.339178D+01  0.492113D+01  0.624507D+01  0.320683D+01
                 6             7             8             9            10 
      1  -0.922993D+01 -0.241914D+01  0.852477D+01  0.122085D+02 -0.179660D-03
      2   0.490899D+01 -0.264403D+01 -0.149430D+01 -0.934712D+01  0.806528D+01
      3   0.906214D+00  0.393323D+01 -0.121503D+01 -0.815272D+00  0.526074D-03
                11            12            13            14            15 
      1   0.123765D+00  0.821144D-05 -0.109599D+02  0.328566D-04 -0.306716D+01
      2  -0.109162D-04  0.106120D+02 -0.193401D-04 -0.367851D+01 -0.577604D-04
      3  -0.175067D+02 -0.136648D-04  0.195831D+02  0.649874D-04 -0.439781D+00
                16            17            18            19            20 
      1  -0.149503D-03  0.618103D+00 -0.384856D-05 -0.553313D+00  0.354091D+01
      2  -0.230497D+02 -0.144333D-03  0.148849D+01  0.925434D+00  0.246154D+01
      3  -0.171349D-04 -0.326686D+01  0.403341D-05  0.116829D+01  0.785092D+01
                21            22            23            24            25 
      1  -0.637019D+01  0.335061D+01 -0.863479D+01 -0.104445D+01 -0.101820D+02
      2  -0.567652D+01  0.466486D+00 -0.327234D+01  0.445694D+01 -0.173846D+02
      3  -0.629640D+01  0.210202D+02 -0.196301D+02  0.170291D+01  0.747403D-01
                26            27            28            29            30 
      1   0.522903D+01  0.545915D+01 -0.617957D+01 -0.343737D+01  0.581854D+01
      2   0.323815D+01  0.616536D+01 -0.161096D+02  0.535863D+01  0.109761D+02
      3   0.662925D-02  0.496222D+01  0.104383D+02 -0.140543D+02  0.777997D-01
                31            32            33            34            35 
      1  -0.267879D+01  0.328290D+01 -0.313187D+01  0.187640D+01  0.400319D+01
      2  -0.316104D+01  0.906640D+01  0.329990D+01  0.168496D+01  0.699036D+01
      3  -0.969082D+01  0.153919D+02 -0.849553D+01  0.788466D+01 -0.755436D+01
                36            37            38            39            40 
      1   0.134728D+01 -0.160069D+01 -0.391223D+01  0.365205D+01 -0.469455D+00
      2  -0.384056D+01  0.845348D+00  0.740248D-01  0.277539D+01  0.499536D+01
      3  -0.837789D+01 -0.361695D+01  0.339204D+01 -0.492097D+01  0.624526D+01
                41            42            43            44            45 
      1   0.108401D+02 -0.922932D+01  0.241904D+01  0.852544D+01 -0.122087D+02
      2   0.640541D+01 -0.490853D+01 -0.264362D+01  0.149503D+01 -0.934759D+01
      3  -0.320675D+01  0.906059D+00 -0.393306D+01 -0.121503D+01  0.814924D+00
                46            47            48            49            50 
      1   0.553626D+00  0.354072D+01  0.637024D+01  0.335050D+01  0.863482D+01
      2   0.925638D+00 -0.246126D+01 -0.567666D+01 -0.466089D+00 -0.327218D+01
      3  -0.116894D+01  0.785044D+01  0.629632D+01  0.210200D+02  0.196299D+02
                51            52            53            54            55 
      1  -0.104415D+01  0.101821D+02  0.522930D+01 -0.545911D+01  0.617947D+01
      2  -0.445729D+01 -0.173850D+02 -0.323854D+01  0.616566D+01 -0.161096D+02
      3   0.170320D+01 -0.747598D-01  0.700311D-02 -0.496206D+01 -0.104382D+02
                56            57            58            59            60 
      1  -0.343714D+01 -0.581867D+01 -0.267863D+01 -0.328296D+01 -0.313196D+01
      2  -0.535912D+01  0.109763D+02  0.316062D+01  0.906646D+01 -0.329952D+01
      3  -0.140544D+02 -0.775038D-01 -0.969061D+01 -0.153914D+02 -0.849594D+01
                61            62            63            64            65 
      1  -0.187650D+01  0.400322D+01 -0.134713D+01 -0.182103D+01  0.378834D+01
      2   0.168564D+01 -0.698989D+01 -0.384128D+01 -0.288661D+01  0.113491D+01
      3  -0.788454D+01 -0.755484D+01  0.837763D+01  0.187957D+01 -0.340890D+01
                66            67            68            69            70 
      1  -0.533271D+00  0.256206D+01 -0.116951D+02 -0.178399D+01  0.306487D-01
      2   0.134133D+01  0.219151D+01 -0.118493D+01 -0.165471D+01 -0.326514D-01
      3   0.100440D+01  0.288754D+01  0.877329D+01 -0.206584D+01  0.106701D+01
                71            72            73            74            75 
      1  -0.204688D+01  0.271203D+00  0.155492D+01 -0.465121D+00 -0.105480D+01
      2  -0.204016D+01  0.142902D+01  0.299423D+01 -0.557419D+00 -0.421388D+00
      3   0.385379D+00  0.910972D+00 -0.951201D+00 -0.161568D+01  0.118350D+00
                76            77            78            79            80 
      1   0.183730D+00 -0.149220D-01  0.345365D+01  0.544053D+00  0.248931D+01
      2  -0.951921D+00  0.941840D+00  0.298153D+01 -0.406326D+01 -0.260071D+01
      3  -0.570162D+00  0.998960D-01 -0.163307D+01 -0.312578D+01 -0.201149D+01
                81            82            83            84            85 
      1   0.121255D+02  0.182101D+01  0.378827D+01  0.533366D+00  0.256200D+01
      2   0.133052D+02 -0.288653D+01 -0.113484D+01  0.134131D+01 -0.219151D+01
      3   0.255792D+00 -0.187959D+01 -0.340887D+01 -0.100444D+01  0.288757D+01
                86            87            88            89            90 
      1   0.116952D+02 -0.178375D+01 -0.305985D-01 -0.204657D+01 -0.271290D+00
      2  -0.118479D+01  0.165470D+01 -0.326741D-01  0.204004D+01  0.142909D+01
      3  -0.877319D+01 -0.206596D+01 -0.106691D+01  0.385244D+00 -0.910957D+00
                91            92            93            94            95 
      1  -0.155493D+01 -0.465169D+00  0.105477D+01  0.183710D+00  0.147390D-01
      2   0.299416D+01  0.557507D+00 -0.421321D+00  0.952034D+00  0.941836D+00
      3   0.951280D+00 -0.161565D+01 -0.118419D+00 -0.570209D+00 -0.997441D-01
                96            97            98            99           100 
      1   0.345400D+01 -0.544012D+00  0.248966D+01 -0.121253D+02  0.124785D+01
      2  -0.298186D+01 -0.406330D+01  0.260035D+01  0.133050D+02 -0.112041D+01
      3  -0.163312D+01  0.312565D+01 -0.201141D+01 -0.255511D+00  0.195842D+01
               101           102           103           104           105 
      1   0.974206D-01 -0.233069D+01  0.379930D+01 -0.127912D+01 -0.526176D+01
      2  -0.221102D+01 -0.250919D+01  0.821483D+00 -0.762287D+01 -0.904514D+01
      3   0.164347D+01  0.240849D+01 -0.982224D+00  0.901037D+01  0.819834D+01
               106           107           108           109           110 
      1  -0.136839D+01  0.192616D+01 -0.471378D+01  0.302740D+01  0.326162D+00
      2   0.162600D+01 -0.100588D+02 -0.108442D+02  0.101490D+02 -0.297817D+01
      3  -0.167584D+01  0.113934D+02  0.963082D+01 -0.500365D+01 -0.571043D+01
               111           112           113           114           115 
      1   0.123851D+01 -0.976285D-01  0.249204D+00 -0.307730D+00  0.184237D+01
      2   0.704741D+01  0.337400D+01 -0.249432D+01 -0.119775D+01  0.287902D+01
      3  -0.736718D+00  0.758113D+00 -0.475653D+00  0.436680D+00 -0.609274D+01
               116           117           118           119           120 
      1   0.221088D+00 -0.915169D-01 -0.302740D+01  0.326141D+00 -0.123854D+01
      2  -0.759686D+00  0.355856D+01  0.101489D+02  0.297827D+01  0.704737D+01
      3   0.628836D+00  0.173378D+01  0.500365D+01 -0.571042D+01  0.736689D+00
               121           122           123           124           125 
      1  -0.975820D-01 -0.249162D+00 -0.307763D+00 -0.184232D+01  0.221047D+00
      2  -0.337386D+01 -0.249433D+01  0.119783D+01  0.287881D+01  0.759619D+00
      3   0.757941D+00  0.475436D+00  0.436754D+00  0.609263D+01  0.628925D+00
               126           127           128           129           130 
      1   0.915067D-01 -0.124783D+01  0.973694D-01  0.233082D+01  0.379920D+01
      2   0.355862D+01 -0.112046D+01  0.221119D+01 -0.250929D+01 -0.821400D+00
      3  -0.173377D+01 -0.195847D+01  0.164375D+01 -0.240870D+01 -0.982202D+00
               131           132           133           134           135 
      1   0.127924D+01 -0.526183D+01  0.136847D+01  0.192609D+01  0.471369D+01
      2  -0.762302D+01  0.904497D+01  0.162577D+01  0.100587D+02 -0.108437D+02
      3  -0.901085D+01  0.819850D+01  0.167572D+01  0.113936D+02 -0.963068D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.264938D+01  0.101436D+02  0.626560D+01  0.358186D+01  0.446110D+01
      2  -0.550426D+01 -0.150707D+02 -0.104787D+02 -0.567747D+01 -0.194557D+02
      3   0.815364D+01  0.492708D+01  0.421308D+01  0.209561D+01  0.149946D+02
      4   0.352718D+01 -0.615654D+01  0.265354D+01 -0.193479D+01 -0.220367D+02
      5   0.207615D+02  0.705306D+01  0.123736D+02 -0.211665D+00 -0.417271D+01
      6   0.134863D+02 -0.271457D+01  0.158792D+01 -0.368779D+01 -0.380711D+01
                 6             7             8             9            10 
      1  -0.454067D+01 -0.484819D+01  0.883458D-01  0.181150D+02  0.250932D+02
      2  -0.574444D+01 -0.226224D+01  0.559172D+01  0.116008D+02 -0.470544D+01
      3   0.102851D+02  0.711043D+01 -0.568006D+01 -0.297158D+02 -0.203877D+02
      4  -0.481517D+01  0.881140D+01  0.176118D+01  0.138610D+01 -0.555873D-03
      5   0.150865D+01  0.141144D+02  0.366503D+01 -0.362882D+01 -0.407027D+02
      6   0.399052D+01  0.650564D+01  0.619683D+01  0.138277D+01  0.520662D-03
                11            12            13            14            15 
      1  -0.799394D-04 -0.874636D+00 -0.143340D-03  0.211675D+01 -0.178246D-04
      2   0.115961D-03  0.545994D+01  0.207083D-03  0.407811D+01  0.132011D-03
      3  -0.360218D-04 -0.458530D+01 -0.637427D-04 -0.619486D+01 -0.114186D-03
      4   0.201148D+02  0.128110D-03 -0.491827D+01 -0.860199D-05  0.275394D+01
      5   0.189090D-03  0.381437D+01  0.259439D-03 -0.904785D+01  0.285735D-04
      6  -0.701149D+01 -0.501078D-04 -0.102591D+02  0.269444D-03 -0.328064D+01
                16            17            18            19            20 
      1   0.102235D+02  0.241406D-04 -0.581224D+01 -0.284932D+02  0.591956D+01
      2  -0.855536D+00  0.283392D-03  0.355009D+00  0.108216D+02  0.826169D+01
      3  -0.936797D+01 -0.307532D-03  0.545723D+01  0.176716D+02 -0.141812D+02
      4   0.235429D-03  0.120926D+01 -0.294794D-04  0.248288D+02 -0.287603D+02
      5  -0.227356D+02 -0.106285D-03 -0.515289D+01  0.341858D+02 -0.823031D+01
      6  -0.113053D-03 -0.683318D+01 -0.218940D-03 -0.544543D+01  0.126372D+01
                21            22            23            24            25 
      1   0.134680D+02  0.220882D+02 -0.130730D+02 -0.384270D+01  0.170107D+02
      2  -0.116760D+02 -0.875491D+01  0.176416D+01  0.832747D+01 -0.657242D+01
      3  -0.179208D+01 -0.133333D+02  0.113089D+02 -0.448477D+01 -0.104382D+02
      4  -0.453590D+01 -0.199547D+02  0.334106D+02 -0.188373D+01 -0.195321D+02
      5  -0.214514D+02 -0.177141D+02  0.448604D+01  0.133917D+02 -0.574138D+01
      6   0.512950D+01  0.549594D+01 -0.333428D+01  0.458457D+01  0.538380D+01
                26            27            28            29            30 
      1   0.455897D+00 -0.150286D+02  0.639227D+00 -0.557826D+01 -0.273714D+02
      2  -0.728287D+01  0.381260D+01 -0.251200D+01 -0.305544D+01  0.194168D+02
      3   0.682697D+01  0.112160D+02  0.187277D+01  0.863370D+01  0.795453D+01
      4   0.411053D+01  0.212366D+01 -0.106614D+02  0.250430D+02  0.969188D+01
      5   0.769944D+00  0.968354D+01 -0.452293D+02  0.785169D+01  0.253837D+02
      6   0.689937D+01 -0.574800D+01  0.930006D+01 -0.443910D+01 -0.326128D+01
                31            32            33            34            35 
      1  -0.418069D+01  0.115580D+02  0.927367D+01 -0.445075D+02  0.131326D+02
      2  -0.135357D+02  0.159207D+02 -0.452081D+01  0.314623D+02 -0.116988D+02
      3   0.177164D+02 -0.274787D+02 -0.475286D+01  0.130453D+02 -0.143379D+01
      4   0.439823D+02 -0.424486D+02  0.602261D+01  0.570807D+01  0.802333D+01
      5  -0.205909D+01  0.741809D+01  0.461006D+01  0.358071D+02 -0.145780D+00
      6  -0.996794D+00 -0.106342D+02 -0.283781D+01 -0.591628D+01 -0.189472D+01
                36            37            38            39            40 
      1   0.220402D+02 -0.264939D+01 -0.101435D+02  0.626518D+01 -0.358168D+01
      2  -0.193460D+02 -0.550367D+01  0.150711D+02 -0.104783D+02  0.567779D+01
      3  -0.269423D+01  0.815306D+01 -0.492752D+01  0.421311D+01 -0.209611D+01
      4   0.139409D+01 -0.352743D+01 -0.615656D+01 -0.265389D+01 -0.193456D+01
      5  -0.168230D+02  0.207615D+02 -0.705350D+01  0.123734D+02  0.211249D+00
      6  -0.787308D+01 -0.134866D+02 -0.271403D+01 -0.158832D+01 -0.368741D+01
                41            42            43            44            45 
      1   0.446119D+01  0.453995D+01 -0.484848D+01 -0.890905D-01  0.181158D+02
      2  -0.194560D+02  0.574354D+01 -0.226170D+01 -0.559290D+01  0.116010D+02
      3   0.149948D+02 -0.102835D+02  0.711018D+01  0.568199D+01 -0.297168D+02
      4   0.220373D+02 -0.481485D+01 -0.881198D+01  0.176165D+01 -0.138565D+01
      5  -0.417229D+01 -0.150865D+01  0.141144D+02 -0.366465D+01 -0.362946D+01
      6   0.380618D+01  0.399082D+01 -0.650584D+01  0.619645D+01 -0.138111D+01
                46            47            48            49            50 
      1  -0.284921D+02 -0.591970D+01  0.134680D+02 -0.220882D+02 -0.130733D+02
      2   0.108209D+02 -0.826150D+01 -0.116758D+02  0.875466D+01  0.176396D+01
      3   0.176712D+02  0.141812D+02 -0.179216D+01  0.133336D+02  0.113093D+02
      4  -0.248277D+02 -0.287602D+02  0.453607D+01 -0.199553D+02 -0.334110D+02
      5   0.341850D+02  0.823046D+01 -0.214510D+02  0.177141D+02  0.448620D+01
      6   0.544478D+01  0.126332D+01 -0.512963D+01  0.549583D+01  0.333369D+01
                51            52            53            54            55 
      1   0.384340D+01  0.170102D+02 -0.455459D+00 -0.150291D+02  0.638276D+00
      2  -0.832790D+01 -0.657187D+01  0.728257D+01  0.381251D+01 -0.251145D+01
      3   0.448450D+01 -0.104384D+02 -0.682711D+01  0.112165D+02  0.187317D+01
      4  -0.188351D+01  0.195322D+02  0.411037D+01 -0.212411D+01  0.106606D+02
      5  -0.133921D+02 -0.574098D+01 -0.770287D+00  0.968378D+01 -0.452287D+02
      6   0.458436D+01 -0.538368D+01  0.689973D+01  0.574809D+01 -0.930001D+01
                56            57            58            59            60 
      1   0.557796D+01 -0.273709D+02  0.418023D+01  0.115582D+02 -0.927449D+01
      2   0.305551D+01  0.194165D+02  0.135357D+02  0.159202D+02  0.452178D+01
      3  -0.863347D+01  0.795441D+01 -0.177159D+02 -0.274784D+02  0.475271D+01
      4   0.250428D+02 -0.969243D+01  0.439816D+02  0.424484D+02  0.602288D+01
      5  -0.785219D+01  0.253837D+02  0.205852D+01  0.741840D+01 -0.460919D+01
      6  -0.443921D+01  0.326173D+01 -0.996511D+00  0.106350D+02 -0.283771D+01
                61            62            63            64            65 
      1  -0.445071D+02 -0.131333D+02  0.220404D+02  0.432310D+01  0.209208D+01
      2   0.314619D+02  0.116997D+02 -0.193463D+02  0.297679D+01 -0.886823D+01
      3   0.130451D+02  0.143363D+01 -0.269407D+01 -0.729989D+01  0.677615D+01
      4  -0.570876D+01  0.802338D+01 -0.139305D+01 -0.103061D+02  0.174068D+02
      5   0.358076D+02  0.146797D+00 -0.168238D+02  0.904475D+00 -0.469907D+01
      6   0.591688D+01 -0.189447D+01  0.787253D+01 -0.159510D+01  0.543004D+01
                66            67            68            69            70 
      1  -0.205294D+01  0.829817D+00 -0.215007D+02  0.586818D+01 -0.164581D+01
      2   0.285692D+01 -0.894165D+01  0.414922D+02 -0.545824D+01 -0.502588D-02
      3  -0.803987D+00  0.811183D+01 -0.199916D+02 -0.409938D+00  0.165084D+01
      4  -0.399212D+01  0.165388D+02 -0.346200D+02  0.765000D+01  0.156164D+01
      5   0.446257D+01 -0.501267D+01  0.925507D+01 -0.532104D+01  0.776007D+00
      6  -0.269361D+01  0.711616D+01 -0.174850D+02  0.980156D+01 -0.146873D+01
                71            72            73            74            75 
      1   0.549316D+00 -0.520147D+01 -0.234225D+00  0.359910D+00  0.420676D+01
      2   0.519924D+01  0.798806D+00 -0.198431D+01 -0.628327D+00  0.113413D+01
      3  -0.574855D+01  0.440267D+01  0.221854D+01  0.268418D+00 -0.534089D+01
      4  -0.198688D+01 -0.435953D+01  0.717312D+00  0.356833D+01 -0.189988D+01
      5  -0.382923D+01  0.293707D+01 -0.346599D+00 -0.909468D+00  0.571432D+01
      6   0.533488D+01 -0.279132D+01  0.100944D+01 -0.365632D-01  0.102767D+01
                76            77            78            79            80 
      1   0.234162D+01 -0.446149D+01 -0.415012D+01  0.132878D+01  0.715254D+01
      2  -0.209865D+01  0.327181D+01 -0.640050D+01 -0.250681D+01 -0.539488D+00
      3  -0.242974D+00  0.118968D+01  0.105506D+02  0.117803D+01 -0.661305D+01
      4   0.251449D+01 -0.260097D+01  0.319271D+01 -0.880529D-01  0.457560D+01
      5   0.218922D+01  0.295547D+01  0.273953D+01  0.696028D+01 -0.369461D+01
      6   0.153984D+01 -0.117523D+01  0.559011D+01 -0.934537D+00  0.832069D+01
                81            82            83            84            85 
      1  -0.322367D+02  0.432305D+01 -0.209210D+01 -0.205301D+01 -0.829784D+00
      2  -0.220912D+02  0.297669D+01  0.886788D+01  0.285701D+01  0.894123D+01
      3   0.543279D+02 -0.729974D+01 -0.677579D+01 -0.804006D+00 -0.811145D+01
      4  -0.309469D+01  0.103059D+02  0.174064D+02  0.399235D+01  0.165386D+02
      5   0.200152D+02  0.904642D+00  0.469930D+01  0.446274D+01  0.501304D+01
      6  -0.127797D+02  0.159529D+01  0.543032D+01  0.269381D+01  0.711650D+01
                86            87            88            89            90 
      1  -0.215007D+02 -0.586858D+01 -0.164588D+01 -0.549692D+00 -0.520161D+01
      2   0.414915D+02  0.545871D+01 -0.484689D-02 -0.519848D+01  0.798725D+00
      3  -0.199908D+02  0.409869D+00  0.165072D+01  0.574817D+01  0.440288D+01
      4   0.346194D+02  0.765052D+01 -0.156129D+01 -0.198622D+01  0.435955D+01
      5   0.925559D+01  0.532133D+01  0.776073D+00  0.382931D+01  0.293732D+01
      6   0.174862D+02  0.980205D+01  0.146886D+01  0.533498D+01  0.279159D+01
                91            92            93            94            95 
      1  -0.234191D+00 -0.360105D+00  0.420663D+01 -0.234166D+01 -0.446136D+01
      2  -0.198424D+01  0.628307D+00  0.113419D+01  0.209863D+01  0.327155D+01
      3   0.221843D+01 -0.268203D+00 -0.534082D+01  0.243030D+00  0.118981D+01
      4  -0.717343D+00  0.356824D+01  0.189979D+01  0.251450D+01  0.260061D+01
      5  -0.346627D+00  0.909379D+00  0.571431D+01 -0.218940D+01  0.295547D+01
      6  -0.100960D+01 -0.364818D-01 -0.102748D+01  0.153989D+01  0.117482D+01
                96            97            98            99           100 
      1   0.415096D+01  0.132874D+01 -0.715168D+01 -0.322364D+02  0.916705D+01
      2   0.640087D+01 -0.250675D+01  0.539819D+00 -0.220914D+02 -0.254235D+01
      3  -0.105518D+02  0.117801D+01  0.661186D+01  0.543279D+02 -0.662470D+01
      4   0.319271D+01  0.878988D-01  0.457545D+01  0.309426D+01 -0.688926D+01
      5  -0.273994D+01  0.696015D+01  0.369417D+01  0.200149D+02 -0.115704D+01
      6   0.559014D+01  0.934469D+00  0.832016D+01  0.127779D+02  0.156757D+01
               101           102           103           104           105 
      1  -0.829285D+01 -0.572072D+01 -0.418859D+01 -0.110018D+02 -0.937407D+01
      2   0.402223D+01  0.128969D+01  0.333348D+01  0.109864D+02  0.470814D+01
      3   0.427062D+01  0.443103D+01  0.855112D+00  0.153463D-01  0.466592D+01
      4   0.367659D+01  0.806340D+00  0.104361D+02 -0.149956D+02 -0.122159D+02
      5   0.170904D+00 -0.886520D+00  0.877241D+01 -0.129815D+02 -0.161317D+02
      6   0.281662D+01  0.316678D+01 -0.531431D+01  0.160835D+02  0.157936D+02
               106           107           108           109           110 
      1   0.942745D+00 -0.128935D+02 -0.149569D+02  0.832602D+02 -0.123070D+02
      2  -0.269392D+01  0.115518D+02  0.402616D+01 -0.381827D+02  0.324233D+01
      3   0.175118D+01  0.134171D+01  0.109307D+02 -0.450775D+02  0.906463D+01
      4   0.756634D+01 -0.163702D+02 -0.129119D+02 -0.301802D+02  0.164779D+02
      5   0.728812D+01 -0.135790D+02 -0.175739D+02  0.889238D+01 -0.163101D+01
      6  -0.586818D+01  0.171541D+02  0.182929D+02 -0.670364D+01  0.118519D+01
               111           112           113           114           115 
      1   0.852217D+01 -0.444780D+01  0.541773D+01  0.291160D+01  0.281678D+02
      2  -0.371314D+01  0.649501D+00 -0.934366D+00 -0.107349D+01 -0.154345D+02
      3  -0.480904D+01  0.379830D+01 -0.448337D+01 -0.183811D+01 -0.127333D+02
      4  -0.259078D+01  0.979672D+01 -0.320282D+01 -0.166802D+01 -0.255088D+01
      5   0.101745D+02  0.723986D+01 -0.243715D+01 -0.254079D+01  0.110828D+02
      6  -0.359914D+01 -0.136393D+01  0.201902D+01  0.239537D+01 -0.442258D+01
               116           117           118           119           120 
      1  -0.240518D+01  0.505562D+01  0.832601D+02  0.123073D+02  0.852221D+01
      2   0.113699D+01 -0.409738D+01 -0.381826D+02 -0.324242D+01 -0.371320D+01
      3   0.126819D+01 -0.958244D+00 -0.450775D+02 -0.906490D+01 -0.480902D+01
      4  -0.718711D+00 -0.467749D+01  0.301811D+02  0.164783D+02  0.259097D+01
      5  -0.302529D+01  0.562641D+01  0.889261D+01  0.163117D+01  0.101745D+02
      6   0.271852D+01 -0.540394D+00  0.670377D+01  0.118529D+01  0.359917D+01
               121           122           123           124           125 
      1   0.444835D+01  0.541791D+01 -0.291147D+01  0.281677D+02  0.240544D+01
      2  -0.649605D+00 -0.934286D+00  0.107342D+01 -0.154345D+02 -0.113714D+01
      3  -0.379875D+01 -0.448363D+01  0.183805D+01 -0.127332D+02 -0.126830D+01
      4   0.979736D+01  0.320337D+01 -0.166808D+01  0.255129D+01 -0.718702D+00
      5  -0.723975D+01 -0.243723D+01  0.254085D+01  0.110825D+02  0.302520D+01
      6  -0.136390D+01 -0.201904D+01  0.239537D+01  0.442251D+01  0.271853D+01
               126           127           128           129           130 
      1   0.505543D+01  0.916681D+01  0.829315D+01 -0.572082D+01  0.418855D+01
      2  -0.409724D+01 -0.254219D+01 -0.402253D+01  0.128980D+01 -0.333319D+01
      3  -0.958194D+00 -0.662462D+01 -0.427062D+01  0.443101D+01 -0.855361D+00
      4   0.467745D+01  0.688909D+01  0.367641D+01 -0.806099D+00  0.104362D+02
      5   0.562653D+01 -0.115680D+01 -0.170640D+00 -0.886805D+00 -0.877198D+01
      6   0.540428D+00 -0.156745D+01  0.281695D+01 -0.316707D+01 -0.531427D+01
               131           132           133           134           135 
      1  -0.110024D+02  0.937438D+01  0.942673D+00  0.128938D+02 -0.149568D+02
      2   0.109874D+02 -0.470872D+01 -0.269410D+01 -0.115524D+02  0.402671D+01
      3   0.149882D-01 -0.466566D+01  0.175143D+01 -0.134138D+01  0.109301D+02
      4   0.149960D+02 -0.122159D+02 -0.756601D+01 -0.163700D+02  0.129113D+02
      5  -0.129815D+02  0.161312D+02  0.728747D+01  0.135785D+02 -0.175727D+02
      6  -0.160838D+02  0.157936D+02  0.586778D+01  0.171539D+02 -0.182924D+02
 Leave Link  716 at Fri Jul 16 19:36:09 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.117839D+03 -0.413995D-05 -0.467985D+01
      2  -0.413995D-05  0.826259D+02 -0.191613D-04
      3  -0.467985D+01 -0.191613D-04  0.753560D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.540220D+01 -0.830522D-04  0.452274D+01
      2   0.356578D-04  0.196079D+02  0.257591D-03
      3   0.340416D+02  0.421003D-03 -0.157732D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.107660D-02 -0.779769D+02 -0.894539D-03
      2  -0.154052D-02  0.277340D+02  0.220474D-03
      3   0.463913D-03  0.502429D+02  0.674065D-03
      4  -0.109990D+03 -0.144100D-02  0.605224D+02
      5  -0.941044D-03  0.613291D+02  0.120973D-02
      6   0.401879D+02 -0.121684D-03  0.419978D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101019D+02  0.407370D+01  0.548582D+01 -0.275120D+01 -0.138454D+01
      2   0.407370D+01 -0.245735D+01  0.246397D+00 -0.138454D+01 -0.440257D+01
      3   0.548582D+01  0.246397D+00  0.181343D+01  0.386541D-01 -0.185730D+00
                 6             7             8             9            10 
      1   0.386541D-01  0.319119D+01  0.269168D+01  0.225508D+01  0.648052D-03
      2  -0.185730D+00  0.269168D+01  0.165000D+01  0.377694D+00 -0.102954D+02
      3   0.211761D+01  0.225508D+01  0.377694D+00 -0.478056D+01 -0.112205D-03
                11            12            13            14            15 
      1  -0.102954D+02 -0.112205D-03 -0.812530D+01  0.153133D-03 -0.457035D+01
      2   0.498649D-04 -0.822543D+00  0.153133D-03 -0.143003D+01  0.120188D-04
      3  -0.822543D+00  0.823391D-05 -0.457035D+01  0.120188D-04 -0.132728D+01
                16            17            18            19            20 
      1  -0.134887D-03 -0.653625D+01 -0.123726D-03 -0.121785D+02  0.760616D+01
      2  -0.653625D+01  0.000000D+00 -0.129281D+01  0.760616D+01 -0.591841D+01
      3  -0.123726D-03 -0.129281D+01 -0.100629D-03  0.348878D+01 -0.816025D+00
                21            22            23            24            25 
      1   0.348878D+01  0.139830D+02 -0.513329D+01 -0.291044D+00  0.112707D+02
      2  -0.816025D+00 -0.513329D+01  0.691135D+01  0.988149D-01 -0.572469D+00
      3  -0.350895D+01 -0.291044D+00  0.988149D-01  0.132559D+01 -0.147087D+01
                26            27            28            29            30 
      1  -0.572469D+00 -0.147087D+01  0.579359D+01 -0.407883D+01 -0.702915D+01
      2   0.821766D+00  0.677085D+00 -0.407883D+01  0.461234D+01  0.110437D+01
      3   0.677085D+00  0.263115D+01 -0.702915D+01  0.110437D+01  0.416537D+01
                31            32            33            34            35 
      1  -0.733184D+01  0.801918D+01 -0.107588D+01 -0.117919D+02  0.479757D-01
      2   0.801918D+01 -0.879413D+01  0.222535D+01  0.479757D-01  0.276713D+01
      3  -0.107588D+01  0.222535D+01  0.141175D+01  0.555329D+01  0.756125D+00
                36            37            38            39            40 
      1   0.555329D+01 -0.101020D+02  0.407383D+01 -0.548571D+01 -0.275118D+01
      2   0.756125D+00  0.407383D+01  0.245733D+01  0.246522D+00  0.138446D+01
      3  -0.234952D+01 -0.548571D+01  0.246522D+00 -0.181345D+01  0.387551D-01
                41            42            43            44            45 
      1   0.138446D+01  0.387551D-01 -0.319114D+01  0.269182D+01 -0.225507D+01
      2  -0.440264D+01  0.185662D+00  0.269182D+01 -0.165002D+01  0.377382D+00
      3   0.185662D+00  0.211739D+01 -0.225507D+01  0.377382D+00  0.478087D+01
                46            47            48            49            50 
      1   0.121775D+02  0.760608D+01 -0.348864D+01  0.139830D+02  0.513328D+01
      2   0.760608D+01  0.591840D+01 -0.816029D+00  0.513328D+01  0.691151D+01
      3  -0.348864D+01 -0.816029D+00  0.350889D+01 -0.291065D+00 -0.988696D-01
                51            52            53            54            55 
      1  -0.291065D+00 -0.112705D+02 -0.572466D+00  0.147094D+01 -0.579305D+01
      2  -0.988696D-01 -0.572466D+00 -0.821823D+00  0.677233D+00 -0.407881D+01
      3   0.132574D+01  0.147094D+01  0.677233D+00 -0.263130D+01  0.702907D+01
                56            57            58            59            60 
      1  -0.407881D+01  0.702907D+01 -0.733174D+01 -0.801911D+01 -0.107579D+01
      2  -0.461236D+01  0.110449D+01 -0.801911D+01 -0.879408D+01 -0.222547D+01
      3   0.110449D+01 -0.416543D+01 -0.107579D+01 -0.222547D+01  0.141157D+01
                61            62            63            64            65 
      1   0.117918D+02  0.480793D-01 -0.555341D+01 -0.104419D+01  0.155720D+01
      2   0.480793D-01 -0.276722D+01  0.755923D+00  0.155720D+01 -0.310734D+01
      3  -0.555341D+01  0.755923D+00  0.234969D+01  0.564970D-01  0.806238D+00
                66            67            68            69            70 
      1   0.564970D-01  0.378308D+01 -0.308792D+01  0.813932D+00  0.157428D+01
      2   0.806238D+00 -0.308792D+01  0.106079D+02 -0.222838D+01 -0.348946D+00
      3  -0.798456D+00  0.813932D+00 -0.222838D+01  0.176727D+01 -0.405395D+00
                71            72            73            74            75 
      1  -0.348946D+00 -0.405395D+00  0.104627D+01 -0.782289D-01 -0.413818D+00
      2   0.778027D+00  0.123081D+01 -0.782289D-01 -0.405993D+00 -0.756573D-01
      3   0.123081D+01 -0.124408D+01 -0.413818D+00 -0.756573D-01  0.106381D+01
                76            77            78            79            80 
      1  -0.674088D+00 -0.517577D+00  0.221181D-01 -0.213305D+01 -0.287078D+00
      2  -0.517577D+00  0.683555D+00 -0.114573D+01 -0.287078D+00 -0.189543D+01
      3   0.221181D-01 -0.114573D+01 -0.182333D+01 -0.763530D+00  0.175216D+01
                81            82            83            84            85 
      1  -0.763530D+00  0.104417D+01  0.155717D+01 -0.564714D-01  0.378310D+01
      2   0.175216D+01  0.155717D+01  0.310727D+01  0.806284D+00  0.308789D+01
      3  -0.111825D+02 -0.564714D-01  0.806284D+00  0.798485D+00  0.813987D+00
                86            87            88            89            90 
      1   0.308789D+01  0.813987D+00 -0.157417D+01 -0.348872D+00  0.405406D+00
      2   0.106078D+02  0.222855D+01 -0.348872D+00 -0.777829D+00  0.123081D+01
      3   0.222855D+01  0.176734D+01  0.405406D+00  0.123081D+01  0.124417D+01
                91            92            93            94            95 
      1  -0.104626D+01 -0.782500D-01  0.413797D+00 -0.674123D+00  0.517584D+00
      2  -0.782500D-01  0.406008D+00 -0.756112D-01  0.517584D+00  0.683416D+00
      3   0.413797D+00 -0.756112D-01 -0.106379D+01  0.221104D-01  0.114573D+01
                96            97            98            99           100 
      1   0.221104D-01  0.213303D+01 -0.287083D+00  0.763510D+00  0.214610D+01
      2   0.114573D+01 -0.287083D+00  0.189534D+01  0.175190D+01 -0.120452D+01
      3  -0.182359D+01  0.763510D+00  0.175190D+01  0.111824D+02 -0.318998D+00
               101           102           103           104           105 
      1  -0.120452D+01 -0.318998D+00 -0.212199D+01  0.138629D+01  0.158314D+01
      2  -0.402639D+00 -0.674523D+00  0.138629D+01 -0.385075D+01 -0.323030D+01
      3  -0.674523D+00 -0.119507D+01  0.158314D+01 -0.323030D+01 -0.371923D+01
               106           107           108           109           110 
      1  -0.110807D+01  0.148953D+01  0.112200D+01  0.133421D+02 -0.272774D+01
      2   0.148953D+01 -0.438660D+01 -0.355903D+01 -0.272774D+01  0.184950D+01
      3   0.112200D+01 -0.355903D+01 -0.459891D+01  0.142171D+01 -0.179643D+00
               111           112           113           114           115 
      1   0.142171D+01 -0.824285D+00  0.126518D+01  0.119419D+01  0.480254D+01
      2  -0.179643D+00  0.126518D+01 -0.440196D+00 -0.527094D+00  0.247321D+00
      3   0.127586D+01  0.119419D+01 -0.527094D+00 -0.415830D+00  0.147789D+01
               116           117           118           119           120 
      1   0.247321D+00  0.147789D+01 -0.133422D+02 -0.272782D+01 -0.142175D+01
      2  -0.466564D+00 -0.588169D+00 -0.272782D+01 -0.184953D+01 -0.179676D+00
      3  -0.588169D+00  0.564904D+00 -0.142175D+01 -0.179676D+00 -0.127584D+01
               121           122           123           124           125 
      1  -0.824412D+00 -0.126527D+01  0.119417D+01 -0.480257D+01  0.247274D+00
      2  -0.126527D+01 -0.440279D+00  0.527112D+00  0.247274D+00  0.466575D+00
      3   0.119417D+01  0.527112D+00 -0.415838D+00 -0.147784D+01 -0.588154D+00
               126           127           128           129           130 
      1  -0.147784D+01 -0.214605D+01 -0.120451D+01  0.318970D+00 -0.212199D+01
      2  -0.588154D+00 -0.120451D+01  0.402728D+00 -0.674593D+00 -0.138631D+01
      3  -0.564925D+00  0.318970D+00 -0.674593D+00  0.119512D+01  0.158307D+01
               131           132           133           134           135 
      1  -0.138631D+01  0.158307D+01  0.110804D+01  0.148948D+01 -0.112188D+01
      2  -0.385093D+01  0.323034D+01  0.148948D+01  0.438665D+01 -0.355896D+01
      3   0.323034D+01 -0.371916D+01 -0.112188D+01 -0.355896D+01  0.459870D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.160066D+01 -0.391207D+01 -0.365214D+01 -0.469305D+00 -0.108401D+02
      2   0.845416D+00 -0.742331D-01  0.277524D+01 -0.499565D+01  0.640535D+01
      3   0.361693D+01  0.339178D+01  0.492113D+01  0.624507D+01  0.320683D+01
                 6             7             8             9            10 
      1  -0.922993D+01 -0.241914D+01  0.852477D+01  0.122085D+02 -0.179660D-03
      2   0.490899D+01 -0.264403D+01 -0.149430D+01 -0.934712D+01  0.806528D+01
      3   0.906214D+00  0.393323D+01 -0.121503D+01 -0.815272D+00  0.526074D-03
                11            12            13            14            15 
      1   0.123765D+00  0.821144D-05 -0.109599D+02  0.328566D-04 -0.306716D+01
      2  -0.109162D-04  0.106120D+02 -0.193401D-04 -0.367851D+01 -0.577604D-04
      3  -0.175067D+02 -0.136648D-04  0.195831D+02  0.649874D-04 -0.439781D+00
                16            17            18            19            20 
      1  -0.149503D-03  0.618103D+00 -0.384856D-05 -0.553313D+00  0.354091D+01
      2  -0.230497D+02 -0.144333D-03  0.148849D+01  0.925434D+00  0.246154D+01
      3  -0.171349D-04 -0.326686D+01  0.403341D-05  0.116829D+01  0.785092D+01
                21            22            23            24            25 
      1  -0.637019D+01  0.335061D+01 -0.863479D+01 -0.104445D+01 -0.101820D+02
      2  -0.567652D+01  0.466486D+00 -0.327234D+01  0.445694D+01 -0.173846D+02
      3  -0.629640D+01  0.210202D+02 -0.196301D+02  0.170291D+01  0.747403D-01
                26            27            28            29            30 
      1   0.522903D+01  0.545915D+01 -0.617957D+01 -0.343737D+01  0.581854D+01
      2   0.323815D+01  0.616536D+01 -0.161096D+02  0.535863D+01  0.109761D+02
      3   0.662925D-02  0.496222D+01  0.104383D+02 -0.140543D+02  0.777997D-01
                31            32            33            34            35 
      1  -0.267879D+01  0.328290D+01 -0.313187D+01  0.187640D+01  0.400319D+01
      2  -0.316104D+01  0.906640D+01  0.329990D+01  0.168496D+01  0.699036D+01
      3  -0.969082D+01  0.153919D+02 -0.849553D+01  0.788466D+01 -0.755436D+01
                36            37            38            39            40 
      1   0.134728D+01 -0.160069D+01 -0.391223D+01  0.365205D+01 -0.469455D+00
      2  -0.384056D+01  0.845348D+00  0.740248D-01  0.277539D+01  0.499536D+01
      3  -0.837789D+01 -0.361695D+01  0.339204D+01 -0.492097D+01  0.624526D+01
                41            42            43            44            45 
      1   0.108401D+02 -0.922932D+01  0.241904D+01  0.852544D+01 -0.122087D+02
      2   0.640541D+01 -0.490853D+01 -0.264362D+01  0.149503D+01 -0.934759D+01
      3  -0.320675D+01  0.906059D+00 -0.393306D+01 -0.121503D+01  0.814924D+00
                46            47            48            49            50 
      1   0.553626D+00  0.354072D+01  0.637024D+01  0.335050D+01  0.863482D+01
      2   0.925638D+00 -0.246126D+01 -0.567666D+01 -0.466089D+00 -0.327218D+01
      3  -0.116894D+01  0.785044D+01  0.629632D+01  0.210200D+02  0.196299D+02
                51            52            53            54            55 
      1  -0.104415D+01  0.101821D+02  0.522930D+01 -0.545911D+01  0.617947D+01
      2  -0.445729D+01 -0.173850D+02 -0.323854D+01  0.616566D+01 -0.161096D+02
      3   0.170320D+01 -0.747598D-01  0.700311D-02 -0.496206D+01 -0.104382D+02
                56            57            58            59            60 
      1  -0.343714D+01 -0.581867D+01 -0.267863D+01 -0.328296D+01 -0.313196D+01
      2  -0.535912D+01  0.109763D+02  0.316062D+01  0.906646D+01 -0.329952D+01
      3  -0.140544D+02 -0.775038D-01 -0.969061D+01 -0.153914D+02 -0.849594D+01
                61            62            63            64            65 
      1  -0.187650D+01  0.400322D+01 -0.134713D+01 -0.182103D+01  0.378834D+01
      2   0.168564D+01 -0.698989D+01 -0.384128D+01 -0.288661D+01  0.113491D+01
      3  -0.788454D+01 -0.755484D+01  0.837763D+01  0.187957D+01 -0.340890D+01
                66            67            68            69            70 
      1  -0.533271D+00  0.256206D+01 -0.116951D+02 -0.178399D+01  0.306487D-01
      2   0.134133D+01  0.219151D+01 -0.118493D+01 -0.165471D+01 -0.326514D-01
      3   0.100440D+01  0.288754D+01  0.877329D+01 -0.206584D+01  0.106701D+01
                71            72            73            74            75 
      1  -0.204688D+01  0.271203D+00  0.155492D+01 -0.465121D+00 -0.105480D+01
      2  -0.204016D+01  0.142902D+01  0.299423D+01 -0.557419D+00 -0.421388D+00
      3   0.385379D+00  0.910972D+00 -0.951201D+00 -0.161568D+01  0.118350D+00
                76            77            78            79            80 
      1   0.183730D+00 -0.149220D-01  0.345365D+01  0.544053D+00  0.248931D+01
      2  -0.951921D+00  0.941840D+00  0.298153D+01 -0.406326D+01 -0.260071D+01
      3  -0.570162D+00  0.998960D-01 -0.163307D+01 -0.312578D+01 -0.201149D+01
                81            82            83            84            85 
      1   0.121255D+02  0.182101D+01  0.378827D+01  0.533366D+00  0.256200D+01
      2   0.133052D+02 -0.288653D+01 -0.113484D+01  0.134131D+01 -0.219151D+01
      3   0.255792D+00 -0.187959D+01 -0.340887D+01 -0.100444D+01  0.288757D+01
                86            87            88            89            90 
      1   0.116952D+02 -0.178375D+01 -0.305985D-01 -0.204657D+01 -0.271290D+00
      2  -0.118479D+01  0.165470D+01 -0.326741D-01  0.204004D+01  0.142909D+01
      3  -0.877319D+01 -0.206596D+01 -0.106691D+01  0.385244D+00 -0.910957D+00
                91            92            93            94            95 
      1  -0.155493D+01 -0.465169D+00  0.105477D+01  0.183710D+00  0.147390D-01
      2   0.299416D+01  0.557507D+00 -0.421321D+00  0.952034D+00  0.941836D+00
      3   0.951280D+00 -0.161565D+01 -0.118419D+00 -0.570209D+00 -0.997441D-01
                96            97            98            99           100 
      1   0.345400D+01 -0.544012D+00  0.248966D+01 -0.121253D+02  0.124785D+01
      2  -0.298186D+01 -0.406330D+01  0.260035D+01  0.133050D+02 -0.112041D+01
      3  -0.163312D+01  0.312565D+01 -0.201141D+01 -0.255511D+00  0.195842D+01
               101           102           103           104           105 
      1   0.974206D-01 -0.233069D+01  0.379930D+01 -0.127912D+01 -0.526176D+01
      2  -0.221102D+01 -0.250919D+01  0.821483D+00 -0.762287D+01 -0.904514D+01
      3   0.164347D+01  0.240849D+01 -0.982224D+00  0.901037D+01  0.819834D+01
               106           107           108           109           110 
      1  -0.136839D+01  0.192616D+01 -0.471378D+01  0.302740D+01  0.326162D+00
      2   0.162600D+01 -0.100588D+02 -0.108442D+02  0.101490D+02 -0.297817D+01
      3  -0.167584D+01  0.113934D+02  0.963082D+01 -0.500365D+01 -0.571043D+01
               111           112           113           114           115 
      1   0.123851D+01 -0.976285D-01  0.249204D+00 -0.307730D+00  0.184237D+01
      2   0.704741D+01  0.337400D+01 -0.249432D+01 -0.119775D+01  0.287902D+01
      3  -0.736718D+00  0.758113D+00 -0.475653D+00  0.436680D+00 -0.609274D+01
               116           117           118           119           120 
      1   0.221088D+00 -0.915169D-01 -0.302740D+01  0.326141D+00 -0.123854D+01
      2  -0.759686D+00  0.355856D+01  0.101489D+02  0.297827D+01  0.704737D+01
      3   0.628836D+00  0.173378D+01  0.500365D+01 -0.571042D+01  0.736689D+00
               121           122           123           124           125 
      1  -0.975820D-01 -0.249162D+00 -0.307763D+00 -0.184232D+01  0.221047D+00
      2  -0.337386D+01 -0.249433D+01  0.119783D+01  0.287881D+01  0.759619D+00
      3   0.757941D+00  0.475436D+00  0.436754D+00  0.609263D+01  0.628925D+00
               126           127           128           129           130 
      1   0.915067D-01 -0.124783D+01  0.973694D-01  0.233082D+01  0.379920D+01
      2   0.355862D+01 -0.112046D+01  0.221119D+01 -0.250929D+01 -0.821400D+00
      3  -0.173377D+01 -0.195847D+01  0.164375D+01 -0.240870D+01 -0.982202D+00
               131           132           133           134           135 
      1   0.127924D+01 -0.526183D+01  0.136847D+01  0.192609D+01  0.471369D+01
      2  -0.762302D+01  0.904497D+01  0.162577D+01  0.100587D+02 -0.108437D+02
      3  -0.901085D+01  0.819850D+01  0.167572D+01  0.113936D+02 -0.963068D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.264938D+01  0.101436D+02  0.626560D+01  0.358186D+01  0.446110D+01
      2  -0.550426D+01 -0.150707D+02 -0.104787D+02 -0.567747D+01 -0.194557D+02
      3   0.815364D+01  0.492708D+01  0.421308D+01  0.209561D+01  0.149946D+02
      4   0.352718D+01 -0.615654D+01  0.265354D+01 -0.193479D+01 -0.220367D+02
      5   0.207615D+02  0.705306D+01  0.123736D+02 -0.211665D+00 -0.417271D+01
      6   0.134863D+02 -0.271457D+01  0.158792D+01 -0.368779D+01 -0.380711D+01
                 6             7             8             9            10 
      1  -0.454067D+01 -0.484819D+01  0.883458D-01  0.181150D+02  0.250932D+02
      2  -0.574444D+01 -0.226224D+01  0.559172D+01  0.116008D+02 -0.470544D+01
      3   0.102851D+02  0.711043D+01 -0.568006D+01 -0.297158D+02 -0.203877D+02
      4  -0.481517D+01  0.881140D+01  0.176118D+01  0.138610D+01 -0.555873D-03
      5   0.150865D+01  0.141144D+02  0.366503D+01 -0.362882D+01 -0.407027D+02
      6   0.399052D+01  0.650564D+01  0.619683D+01  0.138277D+01  0.520662D-03
                11            12            13            14            15 
      1  -0.799394D-04 -0.874636D+00 -0.143340D-03  0.211675D+01 -0.178246D-04
      2   0.115961D-03  0.545994D+01  0.207083D-03  0.407811D+01  0.132011D-03
      3  -0.360218D-04 -0.458530D+01 -0.637427D-04 -0.619486D+01 -0.114186D-03
      4   0.201148D+02  0.128110D-03 -0.491827D+01 -0.860199D-05  0.275394D+01
      5   0.189090D-03  0.381437D+01  0.259439D-03 -0.904785D+01  0.285735D-04
      6  -0.701149D+01 -0.501078D-04 -0.102591D+02  0.269444D-03 -0.328064D+01
                16            17            18            19            20 
      1   0.102235D+02  0.241406D-04 -0.581224D+01 -0.284932D+02  0.591956D+01
      2  -0.855536D+00  0.283392D-03  0.355009D+00  0.108216D+02  0.826169D+01
      3  -0.936797D+01 -0.307532D-03  0.545723D+01  0.176716D+02 -0.141812D+02
      4   0.235429D-03  0.120926D+01 -0.294794D-04  0.248288D+02 -0.287603D+02
      5  -0.227356D+02 -0.106285D-03 -0.515289D+01  0.341858D+02 -0.823031D+01
      6  -0.113053D-03 -0.683318D+01 -0.218940D-03 -0.544543D+01  0.126372D+01
                21            22            23            24            25 
      1   0.134680D+02  0.220882D+02 -0.130730D+02 -0.384270D+01  0.170107D+02
      2  -0.116760D+02 -0.875491D+01  0.176416D+01  0.832747D+01 -0.657242D+01
      3  -0.179208D+01 -0.133333D+02  0.113089D+02 -0.448477D+01 -0.104382D+02
      4  -0.453590D+01 -0.199547D+02  0.334106D+02 -0.188373D+01 -0.195321D+02
      5  -0.214514D+02 -0.177141D+02  0.448604D+01  0.133917D+02 -0.574138D+01
      6   0.512950D+01  0.549594D+01 -0.333428D+01  0.458457D+01  0.538380D+01
                26            27            28            29            30 
      1   0.455897D+00 -0.150286D+02  0.639227D+00 -0.557826D+01 -0.273714D+02
      2  -0.728287D+01  0.381260D+01 -0.251200D+01 -0.305544D+01  0.194168D+02
      3   0.682697D+01  0.112160D+02  0.187277D+01  0.863370D+01  0.795453D+01
      4   0.411053D+01  0.212366D+01 -0.106614D+02  0.250430D+02  0.969188D+01
      5   0.769944D+00  0.968354D+01 -0.452293D+02  0.785169D+01  0.253837D+02
      6   0.689937D+01 -0.574800D+01  0.930006D+01 -0.443910D+01 -0.326128D+01
                31            32            33            34            35 
      1  -0.418069D+01  0.115580D+02  0.927367D+01 -0.445075D+02  0.131326D+02
      2  -0.135357D+02  0.159207D+02 -0.452081D+01  0.314623D+02 -0.116988D+02
      3   0.177164D+02 -0.274787D+02 -0.475286D+01  0.130453D+02 -0.143379D+01
      4   0.439823D+02 -0.424486D+02  0.602261D+01  0.570807D+01  0.802333D+01
      5  -0.205909D+01  0.741809D+01  0.461006D+01  0.358071D+02 -0.145780D+00
      6  -0.996794D+00 -0.106342D+02 -0.283781D+01 -0.591628D+01 -0.189472D+01
                36            37            38            39            40 
      1   0.220402D+02 -0.264939D+01 -0.101435D+02  0.626518D+01 -0.358168D+01
      2  -0.193460D+02 -0.550367D+01  0.150711D+02 -0.104783D+02  0.567779D+01
      3  -0.269423D+01  0.815306D+01 -0.492752D+01  0.421311D+01 -0.209611D+01
      4   0.139409D+01 -0.352743D+01 -0.615656D+01 -0.265389D+01 -0.193456D+01
      5  -0.168230D+02  0.207615D+02 -0.705350D+01  0.123734D+02  0.211249D+00
      6  -0.787308D+01 -0.134866D+02 -0.271403D+01 -0.158832D+01 -0.368741D+01
                41            42            43            44            45 
      1   0.446119D+01  0.453995D+01 -0.484848D+01 -0.890905D-01  0.181158D+02
      2  -0.194560D+02  0.574354D+01 -0.226170D+01 -0.559290D+01  0.116010D+02
      3   0.149948D+02 -0.102835D+02  0.711018D+01  0.568199D+01 -0.297168D+02
      4   0.220373D+02 -0.481485D+01 -0.881198D+01  0.176165D+01 -0.138565D+01
      5  -0.417229D+01 -0.150865D+01  0.141144D+02 -0.366465D+01 -0.362946D+01
      6   0.380618D+01  0.399082D+01 -0.650584D+01  0.619645D+01 -0.138111D+01
                46            47            48            49            50 
      1  -0.284921D+02 -0.591970D+01  0.134680D+02 -0.220882D+02 -0.130733D+02
      2   0.108209D+02 -0.826150D+01 -0.116758D+02  0.875466D+01  0.176396D+01
      3   0.176712D+02  0.141812D+02 -0.179216D+01  0.133336D+02  0.113093D+02
      4  -0.248277D+02 -0.287602D+02  0.453607D+01 -0.199553D+02 -0.334110D+02
      5   0.341850D+02  0.823046D+01 -0.214510D+02  0.177141D+02  0.448620D+01
      6   0.544478D+01  0.126332D+01 -0.512963D+01  0.549583D+01  0.333369D+01
                51            52            53            54            55 
      1   0.384340D+01  0.170102D+02 -0.455459D+00 -0.150291D+02  0.638276D+00
      2  -0.832790D+01 -0.657187D+01  0.728257D+01  0.381251D+01 -0.251145D+01
      3   0.448450D+01 -0.104384D+02 -0.682711D+01  0.112165D+02  0.187317D+01
      4  -0.188351D+01  0.195322D+02  0.411037D+01 -0.212411D+01  0.106606D+02
      5  -0.133921D+02 -0.574098D+01 -0.770287D+00  0.968378D+01 -0.452287D+02
      6   0.458436D+01 -0.538368D+01  0.689973D+01  0.574809D+01 -0.930001D+01
                56            57            58            59            60 
      1   0.557796D+01 -0.273709D+02  0.418023D+01  0.115582D+02 -0.927449D+01
      2   0.305551D+01  0.194165D+02  0.135357D+02  0.159202D+02  0.452178D+01
      3  -0.863347D+01  0.795441D+01 -0.177159D+02 -0.274784D+02  0.475271D+01
      4   0.250428D+02 -0.969243D+01  0.439816D+02  0.424484D+02  0.602288D+01
      5  -0.785219D+01  0.253837D+02  0.205852D+01  0.741840D+01 -0.460919D+01
      6  -0.443921D+01  0.326173D+01 -0.996511D+00  0.106350D+02 -0.283771D+01
                61            62            63            64            65 
      1  -0.445071D+02 -0.131333D+02  0.220404D+02  0.432310D+01  0.209208D+01
      2   0.314619D+02  0.116997D+02 -0.193463D+02  0.297679D+01 -0.886823D+01
      3   0.130451D+02  0.143363D+01 -0.269407D+01 -0.729989D+01  0.677615D+01
      4  -0.570876D+01  0.802338D+01 -0.139305D+01 -0.103061D+02  0.174068D+02
      5   0.358076D+02  0.146797D+00 -0.168238D+02  0.904475D+00 -0.469907D+01
      6   0.591688D+01 -0.189447D+01  0.787253D+01 -0.159510D+01  0.543004D+01
                66            67            68            69            70 
      1  -0.205294D+01  0.829817D+00 -0.215007D+02  0.586818D+01 -0.164581D+01
      2   0.285692D+01 -0.894165D+01  0.414922D+02 -0.545824D+01 -0.502588D-02
      3  -0.803987D+00  0.811183D+01 -0.199916D+02 -0.409938D+00  0.165084D+01
      4  -0.399212D+01  0.165388D+02 -0.346200D+02  0.765000D+01  0.156164D+01
      5   0.446257D+01 -0.501267D+01  0.925507D+01 -0.532104D+01  0.776007D+00
      6  -0.269361D+01  0.711616D+01 -0.174850D+02  0.980156D+01 -0.146873D+01
                71            72            73            74            75 
      1   0.549316D+00 -0.520147D+01 -0.234225D+00  0.359910D+00  0.420676D+01
      2   0.519924D+01  0.798806D+00 -0.198431D+01 -0.628327D+00  0.113413D+01
      3  -0.574855D+01  0.440267D+01  0.221854D+01  0.268418D+00 -0.534089D+01
      4  -0.198688D+01 -0.435953D+01  0.717312D+00  0.356833D+01 -0.189988D+01
      5  -0.382923D+01  0.293707D+01 -0.346599D+00 -0.909468D+00  0.571432D+01
      6   0.533488D+01 -0.279132D+01  0.100944D+01 -0.365632D-01  0.102767D+01
                76            77            78            79            80 
      1   0.234162D+01 -0.446149D+01 -0.415012D+01  0.132878D+01  0.715254D+01
      2  -0.209865D+01  0.327181D+01 -0.640050D+01 -0.250681D+01 -0.539488D+00
      3  -0.242974D+00  0.118968D+01  0.105506D+02  0.117803D+01 -0.661305D+01
      4   0.251449D+01 -0.260097D+01  0.319271D+01 -0.880529D-01  0.457560D+01
      5   0.218922D+01  0.295547D+01  0.273953D+01  0.696028D+01 -0.369461D+01
      6   0.153984D+01 -0.117523D+01  0.559011D+01 -0.934537D+00  0.832069D+01
                81            82            83            84            85 
      1  -0.322367D+02  0.432305D+01 -0.209210D+01 -0.205301D+01 -0.829784D+00
      2  -0.220912D+02  0.297669D+01  0.886788D+01  0.285701D+01  0.894123D+01
      3   0.543279D+02 -0.729974D+01 -0.677579D+01 -0.804006D+00 -0.811145D+01
      4  -0.309469D+01  0.103059D+02  0.174064D+02  0.399235D+01  0.165386D+02
      5   0.200152D+02  0.904642D+00  0.469930D+01  0.446274D+01  0.501304D+01
      6  -0.127797D+02  0.159529D+01  0.543032D+01  0.269381D+01  0.711650D+01
                86            87            88            89            90 
      1  -0.215007D+02 -0.586858D+01 -0.164588D+01 -0.549692D+00 -0.520161D+01
      2   0.414915D+02  0.545871D+01 -0.484689D-02 -0.519848D+01  0.798725D+00
      3  -0.199908D+02  0.409869D+00  0.165072D+01  0.574817D+01  0.440288D+01
      4   0.346194D+02  0.765052D+01 -0.156129D+01 -0.198622D+01  0.435955D+01
      5   0.925559D+01  0.532133D+01  0.776073D+00  0.382931D+01  0.293732D+01
      6   0.174862D+02  0.980205D+01  0.146886D+01  0.533498D+01  0.279159D+01
                91            92            93            94            95 
      1  -0.234191D+00 -0.360105D+00  0.420663D+01 -0.234166D+01 -0.446136D+01
      2  -0.198424D+01  0.628307D+00  0.113419D+01  0.209863D+01  0.327155D+01
      3   0.221843D+01 -0.268203D+00 -0.534082D+01  0.243030D+00  0.118981D+01
      4  -0.717343D+00  0.356824D+01  0.189979D+01  0.251450D+01  0.260061D+01
      5  -0.346627D+00  0.909379D+00  0.571431D+01 -0.218940D+01  0.295547D+01
      6  -0.100960D+01 -0.364818D-01 -0.102748D+01  0.153989D+01  0.117482D+01
                96            97            98            99           100 
      1   0.415096D+01  0.132874D+01 -0.715168D+01 -0.322364D+02  0.916705D+01
      2   0.640087D+01 -0.250675D+01  0.539819D+00 -0.220914D+02 -0.254235D+01
      3  -0.105518D+02  0.117801D+01  0.661186D+01  0.543279D+02 -0.662470D+01
      4   0.319271D+01  0.878988D-01  0.457545D+01  0.309426D+01 -0.688926D+01
      5  -0.273994D+01  0.696015D+01  0.369417D+01  0.200149D+02 -0.115704D+01
      6   0.559014D+01  0.934469D+00  0.832016D+01  0.127779D+02  0.156757D+01
               101           102           103           104           105 
      1  -0.829285D+01 -0.572072D+01 -0.418859D+01 -0.110018D+02 -0.937407D+01
      2   0.402223D+01  0.128969D+01  0.333348D+01  0.109864D+02  0.470814D+01
      3   0.427062D+01  0.443103D+01  0.855112D+00  0.153463D-01  0.466592D+01
      4   0.367659D+01  0.806340D+00  0.104361D+02 -0.149956D+02 -0.122159D+02
      5   0.170904D+00 -0.886520D+00  0.877241D+01 -0.129815D+02 -0.161317D+02
      6   0.281662D+01  0.316678D+01 -0.531431D+01  0.160835D+02  0.157936D+02
               106           107           108           109           110 
      1   0.942745D+00 -0.128935D+02 -0.149569D+02  0.832602D+02 -0.123070D+02
      2  -0.269392D+01  0.115518D+02  0.402616D+01 -0.381827D+02  0.324233D+01
      3   0.175118D+01  0.134171D+01  0.109307D+02 -0.450775D+02  0.906463D+01
      4   0.756634D+01 -0.163702D+02 -0.129119D+02 -0.301802D+02  0.164779D+02
      5   0.728812D+01 -0.135790D+02 -0.175739D+02  0.889238D+01 -0.163101D+01
      6  -0.586818D+01  0.171541D+02  0.182929D+02 -0.670364D+01  0.118519D+01
               111           112           113           114           115 
      1   0.852217D+01 -0.444780D+01  0.541773D+01  0.291160D+01  0.281678D+02
      2  -0.371314D+01  0.649501D+00 -0.934366D+00 -0.107349D+01 -0.154345D+02
      3  -0.480904D+01  0.379830D+01 -0.448337D+01 -0.183811D+01 -0.127333D+02
      4  -0.259078D+01  0.979672D+01 -0.320282D+01 -0.166802D+01 -0.255088D+01
      5   0.101745D+02  0.723986D+01 -0.243715D+01 -0.254079D+01  0.110828D+02
      6  -0.359914D+01 -0.136393D+01  0.201902D+01  0.239537D+01 -0.442258D+01
               116           117           118           119           120 
      1  -0.240518D+01  0.505562D+01  0.832601D+02  0.123073D+02  0.852221D+01
      2   0.113699D+01 -0.409738D+01 -0.381826D+02 -0.324242D+01 -0.371320D+01
      3   0.126819D+01 -0.958244D+00 -0.450775D+02 -0.906490D+01 -0.480902D+01
      4  -0.718711D+00 -0.467749D+01  0.301811D+02  0.164783D+02  0.259097D+01
      5  -0.302529D+01  0.562641D+01  0.889261D+01  0.163117D+01  0.101745D+02
      6   0.271852D+01 -0.540394D+00  0.670377D+01  0.118529D+01  0.359917D+01
               121           122           123           124           125 
      1   0.444835D+01  0.541791D+01 -0.291147D+01  0.281677D+02  0.240544D+01
      2  -0.649605D+00 -0.934286D+00  0.107342D+01 -0.154345D+02 -0.113714D+01
      3  -0.379875D+01 -0.448363D+01  0.183805D+01 -0.127332D+02 -0.126830D+01
      4   0.979736D+01  0.320337D+01 -0.166808D+01  0.255129D+01 -0.718702D+00
      5  -0.723975D+01 -0.243723D+01  0.254085D+01  0.110825D+02  0.302520D+01
      6  -0.136390D+01 -0.201904D+01  0.239537D+01  0.442251D+01  0.271853D+01
               126           127           128           129           130 
      1   0.505543D+01  0.916681D+01  0.829315D+01 -0.572082D+01  0.418855D+01
      2  -0.409724D+01 -0.254219D+01 -0.402253D+01  0.128980D+01 -0.333319D+01
      3  -0.958194D+00 -0.662462D+01 -0.427062D+01  0.443101D+01 -0.855361D+00
      4   0.467745D+01  0.688909D+01  0.367641D+01 -0.806099D+00  0.104362D+02
      5   0.562653D+01 -0.115680D+01 -0.170640D+00 -0.886805D+00 -0.877198D+01
      6   0.540428D+00 -0.156745D+01  0.281695D+01 -0.316707D+01 -0.531427D+01
               131           132           133           134           135 
      1  -0.110024D+02  0.937438D+01  0.942673D+00  0.128938D+02 -0.149568D+02
      2   0.109874D+02 -0.470872D+01 -0.269410D+01 -0.115524D+02  0.402671D+01
      3   0.149882D-01 -0.466566D+01  0.175143D+01 -0.134138D+01  0.109301D+02
      4   0.149960D+02 -0.122159D+02 -0.756601D+01 -0.163700D+02  0.129113D+02
      5  -0.129815D+02  0.161312D+02  0.728747D+01  0.135785D+02 -0.175727D+02
      6  -0.160838D+02  0.157936D+02  0.586778D+01  0.171539D+02 -0.182924D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.191962D+00      0.487918D+00      0.162752D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162341D+02      0.180628D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.764922D+02      0.113350D+02      0.126119D+02
   zx        -0.363271D+01     -0.538312D+00     -0.598953D+00
   zy        -0.172710D-04     -0.255930D-05     -0.284760D-05
   zz         0.698520D+02      0.103510D+02      0.115170D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.919402D+02      0.136241D+02      0.151589D+02
   aniso      0.401809D+02      0.595420D+01      0.662494D+01
   xx         0.117839D+03      0.174619D+02      0.194290D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.826259D+02      0.122439D+02      0.136232D+02
   zx        -0.467985D+01     -0.693482D+00     -0.771602D+00
   zy        -0.191613D-04     -0.283941D-05     -0.315927D-05
   zz         0.753560D+02      0.111666D+02      0.124245D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.87101396         -1.89800546          1.71687623
     6          0.00001414         -0.00000484          0.66730765
     6          2.55746347         -0.05110177         -0.25689623
     6          4.29158929          0.87118401         -1.78401959
     6         -1.87094092          1.89795248          1.71702826
     6         -2.55748337          0.05112294         -0.25677291
     6         -4.29166176         -0.87113989         -1.78384947
     1         -2.56419996          1.59212247          3.62305156
     1         -1.63317316          3.86513141          1.18917404
     1          2.56435890         -1.59224144          3.62287838
     1          1.63322083         -3.86516271          1.18895558
     1          3.86949091          2.41531064         -3.05971705
     1          6.19333457          0.11503323         -1.81151500
     1         -6.19341214         -0.11500020         -1.81126572
     1         -3.86959066         -2.41523067         -3.05960164

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.191962D+00      0.487918D+00      0.162752D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162340D+02      0.180628D+02
   yx         0.363367D+01      0.538454D+00      0.599111D+00
   yy         0.698521D+02      0.103510D+02      0.115171D+02
   zx        -0.787298D-03     -0.116666D-03     -0.129808D-03
   zy        -0.993721D-04     -0.147254D-04     -0.163843D-04
   zz         0.764922D+02      0.113350D+02      0.126119D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.919402D+02      0.136241D+02      0.151589D+02
   aniso      0.401809D+02      0.595420D+01      0.662494D+01
   xx         0.117839D+03      0.174619D+02      0.194290D+02
   yx         0.468087D+01      0.693633D+00      0.771771D+00
   yy         0.753562D+02      0.111666D+02      0.124246D+02
   zx        -0.829279D-03     -0.122886D-03     -0.136730D-03
   zy        -0.125420D-03     -0.185854D-04     -0.206790D-04
   zz         0.826259D+02      0.122439D+02      0.136232D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 0\\\@


 10 WHATSOEVER THY HAND FINDETH TO DO, DO IT WITH THY  
 MIGHT. FOR THERE IS NO WORK, NOR DEVICE, NOR KNOWLEDGE, NOR  
 WISDOM, IN THE GRAVE, WHITHER THOU GOEST.                    
 11 I RETURNED AND SAW UNDER THE SUN, THAT THE RACE IS NOT TO 
 THE SWIFT, NOR THE BATTLE TO THE STRONG, NEITHER YET BREAD TO
 THE WISE, NOR YET RICHES TO MEN OF UNDERSTANDING, NOR YET    
 FAVOR TO MEN OF SKILL. BUT TIME AND CHANCE HAPPEN TO THEM ALL.
 12 FOR MAN ALSO KNOWETH NOT HIS TIME. AS THE FISHES   
 THAT ARE TAKEN IN AN EVIL NET, AND AS THE BIRDS THAT ARE     
 CAUGHT IN THE SNARE. SO ARE THE SONS OF MEN SNARED IN AN EVIL
 TIME, WHEN IT FALLETH SUDDENLY UPON THEM.
                                         ECCLESIASTES 9
 Job cpu time:       0 days  2 hours 55 minutes 36.2 seconds.
 Elapsed time:       0 days  0 hours 22 minutes  3.8 seconds.
 File lengths (MBytes):  RWF=    216 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 19:36:09 2021.
